data_2if1_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 2if1 _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 ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.949 0.404 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 18.4 m-30 -69.84 172.82 7.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.744 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.0 mm -112.95 96.67 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 110.551 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.531 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -67.91 126.03 28.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.877 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 26.0 mm -84.83 -96.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.462 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.56 125.57 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.284 0.564 . . . . 0.0 112.055 178.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 126' ' ' PHE . 4.8 mt -108.81 157.46 9.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.32 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.8 pt20 -141.9 92.41 2.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 111.024 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.6 tt0 -95.29 97.97 10.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -59.49 4.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.73 -151.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.016 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.53 35.76 3.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.538 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER 174.86 -26.67 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.61 67.13 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.976 0.417 . . . . 0.0 110.607 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -87.46 150.55 23.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.322 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 2.6 mt -144.75 80.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.3 m -62.59 121.74 14.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.096 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -108.12 162.55 13.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.946 0.403 . . . . 0.0 111.273 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.477 ' CG2' HG12 ' A' ' 106' ' ' ILE . 38.6 t -128.45 116.69 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.145 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.422 ' OE1' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -114.85 142.91 45.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.401 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.43 -30.07 7.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.882 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.512 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 8.2 mm -57.37 145.81 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.903 0.382 . . . . 0.0 111.079 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.41 ' HB1' ' CE1' ' A' ' 67' ' ' TYR . . . -79.69 134.34 36.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.34 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -63.31 -17.7 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -68.45 -25.29 64.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.512 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 5.4 m-30 -49.44 158.39 0.42 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.034 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -74.51 82.93 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.448 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -36.85 -41.72 0.34 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.739 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 4.8 mptt -66.3 -67.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.723 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -58.52 -20.37 45.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.245 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.58 -68.98 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.324 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.422 ' HB ' HD11 ' A' ' 96' ' ' ILE . 7.9 p -83.05 -44.99 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.792 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 2.4 tttm -47.85 -42.15 25.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.75 70.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.694 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CG ' HD23 ' A' ' 98' ' ' LEU . 7.9 t80 -60.64 -44.24 96.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.496 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -8.97 57.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.199 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.78 -20.22 15.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.683 0.278 . . . . 0.0 111.167 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -96.32 -49.11 5.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.547 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -107.73 -16.19 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.585 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 69.39 40.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.0 110.998 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.83 167.07 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.804 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -87.19 109.24 19.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.11 139.54 14.77 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.668 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.17 167.46 21.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.784 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.1 p -117.2 113.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.5 pt -119.35 145.66 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.309 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -102.37 75.18 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.468 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.444 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -56.35 137.45 75.46 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.135 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.57 -22.35 7.99 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.636 2.224 . . . . 0.0 112.289 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.444 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -82.35 -25.39 33.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.422 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -117.33 -50.9 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.819 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.94 103.36 2.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.726 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 58.03 91.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.213 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.9 m -142.54 128.39 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.1 mm -68.83 153.81 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.23 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.403 ' CG ' HG21 ' A' ' 59' ' ' THR . 1.1 tt0 -127.85 105.32 8.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 111.426 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 9.6 mt -93.74 157.3 16.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.031 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -94.49 138.17 32.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.858 0.361 . . . . 0.0 111.037 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.402 ' C ' ' HB ' ' A' ' 56' ' ' THR . . . 76.45 166.98 24.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.466 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.57 93.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.847 0.356 . . . . 0.0 110.758 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 9.24 33.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.08 -27.38 2.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.343 . . . . 0.0 111.287 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -97.0 -21.57 17.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.393 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -93.53 -37.24 12.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.249 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.477 HG12 ' CG2' ' A' ' 60' ' ' VAL . 6.2 tp -64.56 -50.89 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.127 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 15.9 m -57.15 -36.26 70.51 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.06 -33.0 69.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.397 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.455 ' CE2' HD12 ' A' ' 113' ' ' ILE . 76.5 t80 -72.48 -45.71 58.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.537 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.2 mp -56.68 -30.28 63.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.72 -30.73 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.52 -37.69 80.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.455 HD12 ' CE2' ' A' ' 109' ' ' PHE . 7.6 pt -95.09 -26.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.278 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.97 29.48 8.03 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.86 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.47 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 5.9 tp -75.19 -70.24 0.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.885 0.374 . . . . 0.0 110.722 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.86 -164.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.462 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.52 144.49 50.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.335 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.42 -30.47 29.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.0 -25.78 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.352 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 33.0 mt-30 -85.99 -11.49 52.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.283 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 54.6 mt -49.33 92.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.401 . . . . 0.0 111.002 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -113.82 84.43 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.732 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.421 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 11.0 p -91.78 122.66 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.531 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 37.5 m-70 -128.65 78.61 1.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.394 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.14 120.97 24.12 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.944 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD1' HG23 ' A' ' 48' ' ' ILE . 2.1 p90 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.353 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.836 0.35 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.4 m-30 -70.99 173.6 7.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.938 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.449 HG12 ' HB3' ' A' ' 120' ' ' GLN . 22.3 mm -111.92 99.18 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.183 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.37 118.87 12.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.194 -178.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.442 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 37.9 mm -79.81 -96.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.315 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 82.88 127.17 0.04 OUTLIER 'General case' 0 C--N 1.342 0.276 0 CA-C-O 121.227 0.537 . . . . 0.0 112.128 178.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 49' ' ' GLN . 44.0 mt -102.62 157.11 4.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.378 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.44 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -132.59 79.87 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.083 0.468 . . . . 0.0 110.472 179.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.439 ' CB ' ' CZ ' ' A' ' 126' ' ' PHE . 2.4 tt0 -89.65 98.43 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.307 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.4 126.39 30.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.423 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t30 62.95 22.62 13.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.819 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.93 34.59 90.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.685 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' THR . 77.3 mtt180 -150.65 -58.13 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.699 0.285 . . . . 0.0 111.246 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 73.85 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.441 . . . . 0.0 110.714 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -79.65 129.02 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.189 -179.715 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -140.54 88.11 2.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.602 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 55.4 m -63.14 125.28 23.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.35 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -108.08 158.18 17.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.944 0.402 . . . . 0.0 111.157 179.499 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.49 ' CG2' HG12 ' A' ' 106' ' ' ILE . 17.5 t -125.32 123.02 64.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.115 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.67 149.14 41.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.778 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.32 -29.82 11.27 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.107 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.503 HG21 ' CD2' ' A' ' 67' ' ' TYR . 5.6 mm -59.93 144.45 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.0 0.429 . . . . 0.0 111.187 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.422 ' HB1' ' CE1' ' A' ' 67' ' ' TYR . . . -84.54 133.57 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.225 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.7 -17.39 62.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.02 -10.93 59.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.207 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.503 ' CD2' HG21 ' A' ' 63' ' ' ILE . 6.3 m-30 -53.31 -177.09 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.834 0.349 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -54.71 -30.24 55.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.15 -76.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 1.3 mptp? -56.77 -69.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.574 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -21.55 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 2.5 tt -54.86 -67.14 0.29 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.404 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 5.4 p -89.45 -30.65 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.481 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -59.4 -41.65 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.563 179.685 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.15 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.783 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.447 ' CZ ' HD12 ' A' ' 98' ' ' LEU . 7.5 t80 -57.73 -44.77 86.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.549 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 15.4 mttt -69.2 -12.34 61.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.238 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -98.85 -19.26 17.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.695 0.283 . . . . 0.0 111.22 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 47.0 tttp -101.11 -37.49 8.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.739 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.407 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 6.2 m-85 -114.45 -14.21 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.716 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 66.5 32.38 7.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.013 0.435 . . . . 0.0 110.823 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 72.7 m -101.51 -177.06 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.728 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -112.05 114.96 28.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.404 ' HA3' ' CG2' ' A' ' 73' ' ' VAL . . . -115.02 135.81 12.64 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.695 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.7 p -131.66 131.37 43.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.804 0.335 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.08 64.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.971 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 pt -67.65 152.36 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.281 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -101.84 73.15 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.368 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.8 t-80 -54.31 134.3 61.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.295 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -77.33 -16.62 15.26 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.517 2.145 . . . . 0.0 112.196 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -82.64 -23.31 34.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.972 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.6 m-85 -123.93 -52.15 1.78 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.035 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.73 101.99 2.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 62.54 81.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.7 m -133.17 141.88 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.3 mm -81.23 135.32 25.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -125.09 117.08 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.13 0.491 . . . . 0.0 111.696 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.447 HD12 ' CZ ' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -98.51 158.05 15.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.359 179.199 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.68 140.03 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.212 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.18 178.3 52.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.58 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -81.21 83.26 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.508 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.402 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -94.92 10.96 33.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.197 -179.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.4 ptt85 -49.01 -25.78 2.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.833 0.349 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -102.42 -21.51 14.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.296 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -89.44 -41.61 11.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.711 0.291 . . . . 0.0 111.26 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.49 HG12 ' CG2' ' A' ' 60' ' ' VAL . 7.2 tp -60.6 -50.01 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.292 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.8 p -57.93 -35.12 70.65 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -33.34 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.502 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.455 ' CE1' ' CG2' ' A' ' 113' ' ' ILE . 75.0 t80 -72.97 -43.85 61.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.589 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.1 mp -58.51 -29.58 66.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.7 t -92.95 -26.84 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.2 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.76 -33.08 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.033 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.455 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 9.8 pt -97.67 -24.48 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.436 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.91 27.77 9.27 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.838 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.477 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 4.6 tp -78.3 -71.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.765 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -94.35 163.3 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.426 ' HE3' ' N ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -89.83 150.8 22.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.548 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -58.09 -27.51 63.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.962 0.411 . . . . 0.0 110.409 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -83.18 -24.51 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.343 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 31.7 mt-30 -81.94 -14.13 56.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.247 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 60.2 mt -49.67 91.07 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 111.078 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 120' ' ' GLN . 5.7 mmtt -110.08 84.25 1.89 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.78 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.4 p -92.53 116.81 34.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.373 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 27.6 m-70 -122.96 83.46 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.225 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -56.18 119.54 15.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.22 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.439 ' CZ ' ' CB ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.265 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.881 0.372 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.471 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 18.7 m-30 -78.68 170.8 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.45 HG12 ' HB3' ' A' ' 120' ' ' GLN . 32.5 mm -106.75 99.26 8.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.994 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -72.61 115.67 12.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.173 -178.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.455 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 34.3 mm -74.17 -94.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.573 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 7.0 tpt180 85.47 130.21 0.04 OUTLIER 'General case' 0 C--N 1.344 0.364 0 CA-C-O 121.159 0.504 . . . . 0.0 112.003 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.429 HG23 ' CD1' ' A' ' 126' ' ' PHE . 3.8 mt -114.03 156.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.389 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 7.6 pt20 -139.96 101.73 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.991 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.6 OUTLIER -102.62 111.38 23.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.666 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -80.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.314 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.48 43.67 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.691 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.95 19.82 59.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.878 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.413 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -145.04 -44.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -71.27 65.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.44 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.439 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -75.26 144.22 42.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.953 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.9 mt -145.47 90.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 m -65.69 122.55 17.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -105.14 161.32 14.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.36 . . . . 0.0 110.978 179.61 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.441 ' CG2' HG12 ' A' ' 106' ' ' ILE . 18.8 t -128.01 119.69 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.465 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 19.9 mt-30 -114.01 143.42 44.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.606 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.93 -34.66 5.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.605 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.499 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 8.5 mm -52.74 142.44 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.016 0.436 . . . . 0.0 111.405 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -81.23 138.37 35.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.375 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.62 -16.83 64.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.895 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.91 -24.61 62.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.499 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 5.6 m-30 -48.33 159.18 0.22 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.221 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.13 80.33 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.172 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -37.48 -43.04 0.56 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.731 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 12.6 mttt -62.15 -68.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.719 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -62.2 -15.7 48.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.594 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 tt -67.88 -70.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.58 0.228 . . . . 0.0 111.501 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.435 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 8.8 p -84.43 -45.85 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 8.6 mmtm -48.57 -41.74 31.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.64 -31.65 72.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.556 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -60.2 -43.93 95.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.557 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -9.15 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.245 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 -20.96 13.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.668 0.271 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -95.12 -39.19 10.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.51 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 4.9 m-85 -113.89 -18.47 11.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.649 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 74.32 33.32 0.9 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.923 0.392 . . . . 0.0 110.93 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 66.3 m -105.5 -179.32 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.59 117.98 35.47 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.435 ' HA3' ' CG2' ' A' ' 73' ' ' VAL . . . -121.83 134.33 9.86 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.654 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 p -123.73 168.11 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.001 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 11.1 p -120.22 71.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 pt -79.05 149.6 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.535 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -104.01 75.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.173 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -51.24 129.14 31.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.332 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.5 -13.44 22.63 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.433 2.089 . . . . 0.0 112.29 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.6 OUTLIER -86.1 -24.45 26.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -126.0 -54.96 1.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.89 -113.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -100.09 90.81 4.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.732 0.301 . . . . 0.0 110.757 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.413 ' CG1' ' CG ' ' A' ' 61' ' ' GLN . 20.3 m -118.72 136.59 55.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.284 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -74.2 151.18 7.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.859 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.66 101.8 7.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.762 0.315 . . . . 0.0 111.52 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 8.8 mt -91.53 155.97 18.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.329 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.01 142.54 27.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.885 0.374 . . . . 0.0 111.103 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.75 179.13 51.18 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.572 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.41 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 23.7 p-10 -83.47 78.43 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.034 0.445 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.435 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.2 OUTLIER -91.34 13.92 16.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.141 -179.818 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -47.32 -28.92 2.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.927 0.394 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -101.52 -21.86 14.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.031 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -84.12 -37.25 22.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.061 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.441 HG12 ' CG2' ' A' ' 60' ' ' VAL . 4.8 tp -66.53 -52.23 48.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.053 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 59.5 m -55.74 -33.56 64.37 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.29 -35.24 66.1 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.418 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.428 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 74.2 t80 -72.05 -45.64 60.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.474 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 mp -57.24 -30.33 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.707 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.73 -31.33 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.201 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.96 -29.78 66.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.428 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 7.7 pt -103.96 -25.24 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.445 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.64 31.95 7.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.766 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.461 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 6.0 tp -76.88 -70.47 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.983 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -89.24 -169.18 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.704 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 144.9 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.421 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -54.91 -31.61 60.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.924 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.7 p30 -80.71 -19.85 44.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 33.5 mt-30 -89.32 -10.98 44.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.9 mt -49.03 92.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.162 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -114.78 84.52 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.401 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 13.1 p -94.88 124.3 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.341 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 16.6 m-70 -130.2 85.41 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.393 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.62 121.93 21.22 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.176 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.422 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.854 0.359 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -91.63 176.56 6.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.42 HG13 ' HB3' ' A' ' 116' ' ' ALA . 24.8 mm -111.74 97.84 6.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.493 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.451 ' CE1' ' NE2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.53 130.08 41.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.929 -179.24 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 18.2 mm -88.91 -97.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.218 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.59 124.63 0.03 OUTLIER 'General case' 0 C--N 1.345 0.387 0 CA-C-O 121.149 0.5 . . . . 0.0 111.933 178.795 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.433 HG23 ' CD1' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -103.35 154.66 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.406 179.295 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' N ' HG21 ' A' ' 48' ' ' ILE . 7.0 pt20 -139.85 104.04 4.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 111.053 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -105.63 119.74 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.593 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -67.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.393 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -92.63 38.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.224 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.46 22.53 38.77 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.372 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -156.35 -45.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.53 66.39 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 0.0 110.357 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.427 ' CG2' HG21 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -71.87 158.03 36.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.086 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 2.2 mt -149.56 80.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.0 m -58.88 120.65 9.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.407 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -105.15 161.97 13.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.917 0.389 . . . . 0.0 110.81 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.43 ' CG2' HG12 ' A' ' 106' ' ' ILE . 29.1 t -130.88 110.5 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.057 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -103.33 140.45 37.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.478 179.682 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.2 -26.47 10.37 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.063 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.478 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 12.7 mm -65.47 146.42 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.943 0.401 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.418 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . . . -86.07 132.9 33.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.382 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.28 -19.24 61.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.741 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -23.54 66.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.746 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.504 ' CE2' ' HG ' ' A' ' 115' ' ' LEU . 5.8 m-30 -49.91 158.0 0.55 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -73.2 78.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.45 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -41.18 -38.05 1.02 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.311 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -61.74 -55.96 24.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.544 179.587 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -84.29 4.83 29.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.532 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.414 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 1.8 tt -85.38 -58.67 2.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.765 0.316 . . . . 0.0 110.788 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.408 ' CG1' ' CD1' ' A' ' 96' ' ' ILE . 2.0 m -89.62 -40.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.332 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 5.4 ttpt -52.77 -40.84 63.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.009 0.433 . . . . 0.0 110.33 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.45 -31.55 72.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.515 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 7.7 t80 -65.27 -57.08 9.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -54.93 -22.24 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.488 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.37 -19.99 21.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 111.408 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -101.06 -30.42 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.827 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 28.2 m-85 -117.64 -15.27 10.18 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 73.47 24.36 2.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.3 m -102.35 -162.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.294 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -121.56 115.74 23.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.92 0.39 . . . . 0.0 110.153 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.34 120.31 6.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.365 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 p -121.95 153.68 38.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.844 0.354 . . . . 0.0 111.285 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.0 p -107.39 124.07 63.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.604 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.2 pt -135.93 157.02 38.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.05 0.452 . . . . 0.0 111.595 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -111.23 74.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.198 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -56.45 142.79 68.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.359 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 86.3 Cg_endo -82.52 -26.08 2.8 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.735 2.29 . . . . 0.0 112.248 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.427 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 2.8 mm-40 -80.56 -24.2 39.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.425 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -117.55 -49.77 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.059 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.75 99.62 1.82 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.565 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.03 93.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.713 0.292 . . . . 0.0 111.076 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.9 m -143.66 145.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -87.6 125.47 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.147 179.679 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.11 111.46 23.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.695 -179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 1.5 mp -93.78 167.42 11.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.561 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 138.71 41.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 0.0 110.945 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.62 173.78 18.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.256 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.413 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 5.0 p-10 -69.42 98.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.009 0.433 . . . . 0.0 110.67 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.05 2.49 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.407 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.16 -27.86 1.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.732 0.301 . . . . 0.0 111.561 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -95.39 -23.79 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.347 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 80' ' ' PHE . 60.5 m-80 -91.99 -32.37 15.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.681 0.276 . . . . 0.0 111.304 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.43 HG12 ' CG2' ' A' ' 60' ' ' VAL . 8.8 tp -65.22 -47.99 85.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.186 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.3 p -53.48 -35.03 60.12 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.422 0.63 . . . . 0.0 109.453 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -44.9 76.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.064 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.45 ' CE1' ' CG2' ' A' ' 113' ' ' ILE . 70.7 t80 -63.04 -49.46 74.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.286 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 mp -54.61 -30.52 54.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.1 t -95.6 -24.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.045 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -75.42 -39.38 59.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.45 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 11.4 pt -92.23 -24.23 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 111.365 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.97 28.4 8.27 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.861 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 4.8 tp -76.87 -70.27 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.472 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.42 ' HB3' HG13 ' A' ' 44' ' ' ILE . . . -90.74 -165.27 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.418 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 145.38 48.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.505 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -55.27 -32.05 62.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.384 . . . . 0.0 110.66 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -79.4 -25.65 42.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.3 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.405 ' HB3' HG12 ' A' ' 44' ' ' ILE . 28.3 mt-30 -85.48 -8.63 58.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.217 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.9 mt -50.91 92.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.344 . . . . 0.0 111.116 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -115.1 82.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.454 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.3 p -94.23 123.33 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.304 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 22.1 m-70 -126.71 80.72 1.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.178 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.11 120.99 17.44 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.222 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.276 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 121.028 0.442 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.422 ' HA ' ' CB ' ' A' ' 120' ' ' GLN . 20.3 m-30 -56.4 165.99 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.039 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.42 HG12 ' HB3' ' A' ' 120' ' ' GLN . 46.1 mm -114.64 92.08 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.624 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -63.73 134.2 54.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.903 -179.404 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 20.6 mm -93.35 -99.64 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.099 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.0 tpp180 85.42 119.45 0.04 OUTLIER 'General case' 0 C--N 1.344 0.356 0 CA-C-O 121.223 0.535 . . . . 0.0 111.957 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 48' ' ' ILE . 7.0 mt -99.65 155.02 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.38 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.5 pt20 -136.76 97.55 3.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.401 . . . . 0.0 111.251 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -103.99 106.79 17.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.388 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.809 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -93.69 23.76 4.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.742 0.306 . . . . 0.0 111.484 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.08 20.57 64.74 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -148.02 -40.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.62 0.248 . . . . 0.0 111.326 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -79.47 62.13 3.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.113 0.483 . . . . 0.0 110.203 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.433 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -66.17 153.94 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.258 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 3.1 mt -154.13 75.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.2 m -52.86 142.96 17.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -131.43 147.77 52.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.93 0.395 . . . . 0.0 111.025 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.478 ' CG2' HG12 ' A' ' 106' ' ' ILE . 49.9 t -120.26 114.31 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.06 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -106.53 143.48 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.453 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.33 -35.45 4.65 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.634 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.537 HG21 ' CD2' ' A' ' 67' ' ' TYR . 8.2 mm -46.62 151.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.375 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' HB1' ' CE1' ' A' ' 67' ' ' TYR . . . -86.59 146.06 26.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.867 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.46 -17.95 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.658 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -25.52 64.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.638 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CD2' HG21 ' A' ' 63' ' ' ILE . 4.7 m-30 -52.97 -177.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.007 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -103.48 79.51 1.7 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.224 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -41.12 -43.06 2.16 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -68.71 -58.73 3.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.881 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -32.28 67.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.404 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' HG ' ' CD2' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -60.93 -59.67 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.96 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.5 m -75.88 -28.8 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.328 . . . . 0.0 110.715 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -68.6 -52.16 34.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.907 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.63 99.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.165 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 13.4 t80 -46.7 -54.08 10.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.019 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 42.2 mtmt -58.47 -20.32 44.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -81.64 -18.73 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.985 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -103.82 -40.79 6.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.693 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -121.57 -11.75 8.63 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.19 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.91 39.72 10.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.408 . . . . 0.0 110.861 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 79.1 m -105.39 134.51 48.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.89 104.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.91 130.09 9.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.338 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.4 p -130.22 152.18 49.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 0.0 111.275 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.4 p -98.37 133.32 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.666 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.1 pt -147.72 140.83 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 111.436 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -97.8 72.77 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.638 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -54.73 129.41 64.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.35 -13.14 23.03 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.422 2.081 . . . . 0.0 112.442 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -86.31 -23.94 26.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -122.71 -55.37 1.82 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.66 98.01 2.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.6 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.42 93.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 111.132 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.0 m -140.03 144.1 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.5 mm -92.36 123.66 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.215 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.69 110.24 22.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.619 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.449 ' CD2' ' CD2' ' A' ' 76' ' ' PHE . 13.6 mt -97.5 156.64 16.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.94 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -92.84 135.13 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.79 175.68 51.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.413 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -75.04 93.47 2.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.347 . . . . 0.0 110.669 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.29 6.09 24.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.388 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -26.46 2.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.746 0.308 . . . . 0.0 111.216 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -99.6 -23.95 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.285 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -87.77 -43.21 12.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.138 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.478 HG12 ' CG2' ' A' ' 60' ' ' VAL . 4.2 tp -61.34 -49.84 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.421 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 26.4 p -56.77 -37.66 71.41 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.6 -33.37 70.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.52 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.465 ' CE1' ' CG2' ' A' ' 113' ' ' ILE . 84.9 t80 -72.86 -45.38 58.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.282 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 115' ' ' LEU . 4.8 mp -54.75 -31.5 58.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.732 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 72.7 t -94.04 -29.96 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.79 -36.87 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.465 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 12.3 pt -97.02 -31.02 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.26 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.83 28.87 5.76 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.631 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.498 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 11.0 tp -74.05 -71.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.706 0.289 . . . . 0.0 110.664 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 110' ' ' LEU . . . -90.13 -168.68 2.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.295 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 146.97 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.722 0.296 . . . . 0.0 110.274 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.4 ' HA ' HD13 ' A' ' 121' ' ' LEU . 2.0 m-20 -58.41 -32.21 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.0 110.403 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -78.99 -22.43 45.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.174 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.422 ' CB ' ' HA ' ' A' ' 43' ' ' TYR . 21.0 mt-30 -89.57 -7.68 54.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.345 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 118' ' ' ASP . 45.5 mt -54.07 89.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.87 0.367 . . . . 0.0 111.022 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -111.31 84.59 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.421 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.2 p -94.59 123.81 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.356 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 32.4 m-70 -128.78 75.07 1.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.07 120.33 21.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.365 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.111 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.96 0.409 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.443 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.3 m-85 -61.19 173.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.035 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' ' 120' ' ' GLN . 23.8 mm -110.26 96.58 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.182 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.524 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.6 117.47 11.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.933 -178.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 34.3 mm -79.35 -97.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.335 178.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.3 132.19 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 111.974 178.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.426 HG23 ' CD1' ' A' ' 126' ' ' PHE . 1.3 mt -113.6 156.02 14.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.298 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.419 ' N ' HG21 ' A' ' 48' ' ' ILE . 3.6 pt20 -142.78 95.42 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.423 . . . . 0.0 111.109 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -99.7 97.15 8.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.617 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -55.25 -33.39 63.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -131.75 -151.38 0.46 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.848 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.57 29.94 6.41 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.343 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 56' ' ' THR . 9.8 ptp180 -178.08 -32.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.479 0.18 . . . . 0.0 111.456 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.84 70.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.937 0.399 . . . . 0.0 110.597 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -90.78 163.33 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.339 -179.462 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 5.6 mt -156.82 75.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.715 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.1 m -56.83 136.42 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.109 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -120.73 146.7 46.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.899 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.402 HG13 HG12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -113.06 119.44 60.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.633 179.564 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.56 152.11 34.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.847 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.09 -34.89 5.27 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.085 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.52 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 2.5 mm -51.94 146.4 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 111.15 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.481 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -88.46 140.87 29.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.641 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -65.57 -19.59 65.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.697 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -70.4 -19.57 63.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.527 ' CD2' ' CD1' ' A' ' 115' ' ' LEU . 6.3 m-30 -51.91 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -92.61 76.86 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.202 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.63 -48.07 2.06 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.774 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 6.8 mtpm? -64.91 -46.67 80.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 10.98 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.048 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HG ' ' CD2' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -105.78 -68.9 0.85 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 110.939 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.4 p -76.34 -39.54 34.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -65.46 -44.57 86.8 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.6 98.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.681 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CZ ' HD11 ' A' ' 98' ' ' LEU . 18.2 t80 -50.45 -39.01 46.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.747 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.7 mtpp -74.81 -6.67 50.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.472 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -104.84 -19.91 13.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.433 ' HD3' ' CE2' ' A' ' 80' ' ' PHE . 1.8 tttm -90.53 -46.43 8.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.324 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.433 ' CE2' ' HD3' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -115.36 -14.04 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.637 -179.587 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 69.06 43.26 1.14 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.996 0.427 . . . . 0.0 110.648 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.7 m -108.75 152.94 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.979 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.26 111.2 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.764 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.5 139.16 15.47 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.67 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.3 p -132.27 165.12 24.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.699 0.285 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.48 129.75 71.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -145.24 161.69 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.407 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -106.17 75.05 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.223 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.8 t-80 -54.44 138.57 59.36 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.497 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.12 -16.53 11.05 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.417 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -84.4 -22.48 30.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.4 m-85 -127.53 -54.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.043 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.78 100.76 2.65 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.739 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 63.57 87.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.439 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.4 m -141.31 140.08 32.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.785 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -76.76 157.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.396 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.42 ' HB2' ' CD1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -131.83 103.53 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.368 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.486 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 15.3 mt -91.49 156.72 17.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.897 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -93.24 135.54 34.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.884 0.373 . . . . 0.0 111.186 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.85 166.6 33.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -65.49 94.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.21 5.54 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.41 -29.74 2.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.901 0.382 . . . . 0.0 111.138 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -25.52 17.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -85.15 -40.56 16.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.197 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 tp -61.64 -51.13 76.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.4 p -56.72 -35.0 68.05 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -33.19 68.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.572 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.465 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 68.0 t80 -73.89 -43.12 59.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.347 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.02 -29.84 65.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.67 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.9 t -93.83 -29.9 4.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.34 -36.72 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.467 HD13 HD11 ' A' ' 115' ' ' LEU . 6.7 pt -99.42 -23.17 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.4 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.8 32.19 8.18 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.409 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.527 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 8.4 tp -74.18 -69.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.075 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -94.42 -168.59 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.689 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.66 143.28 45.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.376 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.435 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.9 p-10 -53.28 -30.32 37.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.98 -26.3 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.248 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.443 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 32.8 mt-30 -83.8 -9.04 59.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.342 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 51.8 mt -52.23 89.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.35 . . . . 0.0 111.178 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.415 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 3.1 mmtt -109.29 81.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.531 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.409 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 13.2 p -91.97 117.54 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.488 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.524 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 31.2 m-70 -122.12 79.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.132 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.51 120.91 16.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.206 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.295 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.969 0.414 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -69.22 172.78 6.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.448 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.45 HG12 ' HB3' ' A' ' 120' ' ' GLN . 24.5 mm -109.13 101.01 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.137 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -79.24 116.4 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.068 -178.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 38.5 mm -70.57 -92.74 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.992 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' A' ' 124' ' ' HIS . 0.1 OUTLIER 89.06 118.65 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.06 0.457 . . . . 0.0 112.099 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 49' ' ' GLN . 12.6 mt -104.21 158.69 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.147 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.473 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.0 pt20 -143.01 94.43 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.96 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.46 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 1.4 tt0 -101.5 104.69 15.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.482 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -78.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.501 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -96.51 38.03 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 111.152 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.63 22.74 68.26 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.226 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 30.6 ptt180 -148.92 -47.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 0.0 110.992 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -72.79 64.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 0.0 110.228 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.46 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -74.26 150.96 40.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.36 -179.339 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.436 ' HB2' ' CG ' ' A' ' 49' ' ' GLN . 6.4 mt -150.28 79.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.42 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 60.4 m -59.72 123.64 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.394 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -103.21 161.29 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.005 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.426 ' CG2' HG12 ' A' ' 106' ' ' ILE . 21.5 t -128.63 116.95 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.05 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.71 153.61 26.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.629 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.27 -42.57 1.93 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.457 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.513 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -48.08 145.45 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.015 0.436 . . . . 0.0 110.947 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.476 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -81.3 161.6 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.506 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -79.44 -14.09 59.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.168 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -94.45 26.81 3.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.546 ' CE2' ' HG ' ' A' ' 115' ' ' LEU . 3.8 m-30 -92.14 19.32 7.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.288 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.05 77.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.881 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.83 -33.17 0.18 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.34 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -65.59 -51.13 62.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.588 179.556 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 25.01 2.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.416 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 tt -115.77 -50.44 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.346 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -94.46 -36.39 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -56.98 -41.06 77.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.998 0.427 . . . . 0.0 110.26 179.533 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.05 -28.4 69.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.402 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.41 ' CE1' HD11 ' A' ' 106' ' ' ILE . 6.5 t80 -64.49 -49.54 70.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.487 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 9.1 mtmt -63.34 -17.27 62.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -20.46 22.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.107 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.428 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -98.58 -47.99 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.588 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -115.15 -18.58 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.76 -179.379 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 72.99 41.63 0.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.992 0.425 . . . . 0.0 110.842 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.54 147.03 32.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.23 104.21 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.69 107.28 3.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.438 ' O ' HD11 ' A' ' 96' ' ' ILE . 68.0 p -107.33 162.24 14.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 111.069 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.4 p -114.05 68.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.5 pt -74.38 156.46 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.029 0.442 . . . . 0.0 111.63 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -109.62 73.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.14 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -54.47 134.13 62.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.322 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.85 -16.39 14.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.545 2.163 . . . . 0.0 112.36 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -84.32 -23.96 30.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.3 m-85 -122.21 -53.33 1.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.71 99.14 2.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.574 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.03 94.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 111.291 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.7 m -143.77 145.37 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.65 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' A' ' 59' ' ' THR . 2.8 mm -82.12 128.31 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.879 0.371 . . . . 0.0 110.577 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.42 ' HG3' HG21 ' A' ' 59' ' ' THR . 0.4 OUTLIER -104.69 110.14 22.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.71 -179.021 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 6.3 mt -95.67 157.67 15.79 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.54 139.2 30.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.874 0.368 . . . . 0.0 111.117 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.36 173.1 35.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -74.06 94.71 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.504 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.13 9.79 34.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.421 ' HB2' ' CG2' ' A' ' 123' ' ' VAL . 3.4 ptt85 -47.33 -28.81 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.73 0.3 . . . . 0.0 111.212 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.26 -21.48 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.325 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -89.62 -39.54 13.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.184 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.426 HG12 ' CG2' ' A' ' 60' ' ' VAL . 7.8 tp -62.31 -51.82 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.96 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 6.0 p -56.92 -32.33 65.83 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -73.31 -33.66 65.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.657 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.454 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 77.3 t80 -74.42 -44.65 50.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.379 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.04 -29.48 65.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.64 -31.05 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.993 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.06 -41.62 77.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.454 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 8.1 pt -92.22 -19.88 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.431 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.38 30.36 14.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.563 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.546 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 7.4 tp -74.52 -67.43 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.85 176.94 5.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 146.82 28.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.581 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -54.61 -30.95 56.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.006 0.431 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -78.56 -23.1 46.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.365 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.45 ' HB3' HG12 ' A' ' 44' ' ' ILE . 32.8 mt-30 -87.32 -11.6 48.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.107 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 39.5 mt -50.53 89.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.977 0.418 . . . . 0.0 111.389 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 120' ' ' GLN . 11.7 mmtt -113.32 81.01 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.076 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.421 ' CG2' ' HB2' ' A' ' 103' ' ' ARG . 12.0 p -94.22 128.86 45.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.163 -178.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.539 ' O ' ' HA ' ' A' ' 47' ' ' ARG . 1.7 m-70 -146.66 91.5 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.715 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 126' ' ' PHE . . . -45.95 -93.74 0.01 OUTLIER Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.56 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.425 ' CZ ' ' OE1' ' A' ' 50' ' ' GLN . 1.3 p90 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.857 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.909 0.385 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.435 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.9 m-30 -67.6 174.54 3.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.774 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.421 HG12 ' HB3' ' A' ' 120' ' ' GLN . 19.3 mm -113.04 97.89 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.462 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -70.16 131.11 43.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.71 -179.287 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 31.0 mm -91.16 -99.27 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.41 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 7.1 tpt180 92.96 130.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.357 0.599 . . . . 0.0 112.457 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -106.03 166.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.027 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.489 ' N ' HG22 ' A' ' 48' ' ' ILE . 10.1 pt20 -157.17 98.12 1.7 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.177 0.513 . . . . 0.0 111.061 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.464 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 4.6 tt0 -99.63 93.75 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.809 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -55.82 21.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -104.45 -150.95 0.43 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.722 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.4 37.19 3.43 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.213 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.1 OUTLIER 174.52 -29.3 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 68.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.996 0.427 . . . . 0.0 111.223 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -87.78 149.53 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.949 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 3.3 mp -144.78 86.34 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -62.92 122.78 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.303 . . . . 0.0 111.194 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -99.85 167.14 10.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.414 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.439 ' CG2' HG12 ' A' ' 106' ' ' ILE . 49.0 t -137.11 115.22 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.008 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.416 ' OE1' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -116.59 141.02 48.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.48 -30.33 7.32 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.127 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.536 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -60.77 145.79 12.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.95 0.405 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.466 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -79.84 148.5 31.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.15 -7.24 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.201 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -94.85 23.3 5.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.395 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.536 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 5.5 m-30 -89.06 22.35 2.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.424 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 70' ' ' LYS . 3.6 t70 78.76 -14.76 0.83 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 tttt 62.98 -76.39 0.03 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.795 0.331 . . . . 0.0 111.15 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -53.05 -58.97 5.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.208 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -53.45 -24.08 11.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.442 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -57.98 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.219 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.3 m -87.45 -29.13 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.474 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -43.66 74.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.73 -30.95 67.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.07 -47.4 80.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.25 -13.77 59.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.361 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -100.59 -19.31 16.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.585 0.231 . . . . 0.0 111.298 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.436 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 5.7 tttm -98.08 -37.63 9.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.604 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.436 ' CZ ' ' CD ' ' A' ' 79' ' ' LYS . 7.5 m-85 -114.45 -18.15 11.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 73.21 33.88 1.1 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 26.7 m -108.44 179.19 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.6 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.416 ' ND2' ' C ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -100.64 118.3 36.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.421 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.65 106.64 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.271 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 35.2 p -104.3 156.68 17.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.412 ' HA ' HD12 ' A' ' 96' ' ' ILE . 9.2 p -116.47 71.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -81.67 149.78 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.274 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -103.76 73.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.522 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.412 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -57.45 136.94 81.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.094 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.56 -20.62 10.65 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.555 2.17 . . . . 0.0 112.26 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -79.43 -24.18 42.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -120.09 -49.5 2.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.11 -179.686 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.24 96.7 2.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 62.06 91.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.4 m -137.58 143.85 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.4 mm -83.4 127.71 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.363 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.402 ' HG3' HG21 ' A' ' 59' ' ' THR . 1.9 mt-30 -102.32 106.22 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.368 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 8.6 mt -89.96 159.91 16.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.898 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -94.07 141.81 28.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.964 0.411 . . . . 0.0 111.374 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 73.64 -179.5 40.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.591 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.44 ' HA ' HD12 ' A' ' 48' ' ' ILE . 30.9 p-10 -80.9 90.03 5.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.718 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.25 13.99 32.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.123 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.94 -27.3 3.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -103.06 -21.95 13.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.102 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -85.74 -37.25 19.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.439 HG12 ' CG2' ' A' ' 60' ' ' VAL . 6.8 tp -62.95 -52.45 59.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.979 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 71.0 m -58.04 -30.44 66.15 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -73.96 -32.81 63.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.575 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.453 ' CE1' ' CG2' ' A' ' 113' ' ' ILE . 76.0 t80 -75.83 -44.81 39.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.389 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 mp -57.07 -30.53 64.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.604 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.84 -31.11 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.76 -42.01 74.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.453 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 8.2 pt -91.52 -19.97 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.403 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.03 33.99 11.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.561 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 6.1 tp -78.24 -70.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.0 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.41 -179.72 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.731 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 154.81 18.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.549 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -29.03 70.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.99 0.424 . . . . 0.0 110.241 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -81.54 -29.13 33.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.169 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.435 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 32.0 mt-30 -78.73 -10.72 59.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.217 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 62.4 mt -51.85 88.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.979 0.418 . . . . 0.0 111.122 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.8 mmtt -111.12 89.16 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.54 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.6 p -94.26 125.66 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.866 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.523 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 20.8 m-70 -135.95 36.1 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.953 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.426 ' CA ' ' HB ' ' A' ' 48' ' ' ILE . . . -56.46 88.32 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.58 -0.736 . . . . 0.0 113.088 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.437 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.022 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.6 t0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.92 0.39 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 18.9 m-30 -69.43 172.57 6.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.9 mm -116.06 96.53 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.047 0.451 . . . . 0.0 110.522 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.513 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -66.81 122.99 18.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.948 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 30.1 mm -84.18 -96.85 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.043 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.85 125.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.321 0.582 . . . . 0.0 112.429 178.713 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.479 HD11 HG22 ' A' ' 48' ' ' ILE . 5.3 mt -109.71 154.96 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.813 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -138.15 94.17 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.016 0.436 . . . . 0.0 111.242 179.508 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 2.7 tt0 -102.61 125.58 49.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.595 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.68 128.25 36.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.256 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.0 t30 51.47 29.23 5.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.267 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.59 17.14 76.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.387 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -145.66 -175.85 4.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.597 0.237 . . . . 0.0 110.772 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt 40.67 78.26 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.867 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.407 ' CG2' ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -86.86 151.81 23.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.132 -179.261 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.1 mp -146.09 88.37 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.73 123.44 20.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.812 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -104.64 158.97 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 0.0 111.229 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.425 ' CG2' HG12 ' A' ' 106' ' ' ILE . 66.4 t -126.83 113.91 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.0 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.442 ' OE1' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -118.05 140.78 49.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.347 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.74 -27.67 9.08 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.881 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.539 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 3.1 mm -64.49 147.74 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.982 0.42 . . . . 0.0 111.023 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.451 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -76.04 145.0 40.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.352 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.64 -9.06 58.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.257 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -94.16 23.09 5.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.297 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.539 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 5.4 m-30 -90.02 19.27 5.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.486 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 49.36 86.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.784 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -36.74 -38.8 0.18 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.529 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -61.35 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.088 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -79.65 59.17 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.258 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 tt -156.2 -66.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.24 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.41 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 13.6 p -89.28 -33.53 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.992 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -61.22 -41.41 96.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.073 0.463 . . . . 0.0 109.984 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.32 -29.2 70.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.585 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.449 ' CZ ' HD22 ' A' ' 98' ' ' LEU . 13.2 t80 -57.65 -54.46 46.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.663 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -63.87 -13.21 43.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.313 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -96.36 -19.31 19.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.654 0.264 . . . . 0.0 111.094 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -94.69 -46.1 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.715 -179.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.412 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 1.3 m-85 -109.83 -15.24 14.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 75.93 28.68 0.85 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 60.9 m -96.35 -170.72 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.63 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.13 108.59 18.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.118 0.485 . . . . 0.0 110.827 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.403 ' HA3' ' CG2' ' A' ' 73' ' ' VAL . . . -105.17 135.37 12.53 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.378 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.9 p -139.05 167.91 21.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 111.3 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.404 ' HA ' HD12 ' A' ' 96' ' ' ILE . 14.4 p -121.69 140.02 46.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.6 pt -150.37 145.4 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.354 . . . . 0.0 111.368 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -98.81 70.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.037 0.446 . . . . 0.0 110.549 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.427 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 3.1 t-80 -53.29 142.47 38.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.197 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 97.2 Cg_endo -80.49 -26.5 3.94 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.583 2.188 . . . . 0.0 112.444 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.3 -20.97 31.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.442 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 1.2 m-85 -116.12 -49.94 2.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.051 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.49 97.86 1.39 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.689 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 61.58 84.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.291 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.4 m -136.35 141.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.85 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.9 OUTLIER -79.6 141.23 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.124 179.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -114.15 101.94 9.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.921 0.391 . . . . 0.0 111.734 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.449 HD22 ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -81.94 170.12 15.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.837 178.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.98 138.28 45.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.319 . . . . 0.0 110.825 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.4 ' C ' ' HB ' ' A' ' 56' ' ' THR . . . 72.06 169.24 11.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.08 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -67.05 89.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.04 4.9 34.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.403 ' HB2' ' CG2' ' A' ' 123' ' ' VAL . 4.5 ptm180 -46.85 -27.9 1.39 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.847 0.356 . . . . 0.0 111.159 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -93.43 -25.67 17.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -88.81 -36.61 15.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.129 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.425 HG12 ' CG2' ' A' ' 60' ' ' VAL . 7.4 tp -62.36 -52.0 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 121' ' ' LEU . 4.7 p -55.89 -36.1 67.27 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -33.17 70.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.546 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.454 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 75.5 t80 -71.8 -44.45 63.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.509 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 mp -58.09 -30.13 66.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.63 -27.14 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.85 -37.32 64.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.454 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 9.4 pt -95.48 -19.09 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.525 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.31 30.05 15.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.657 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.505 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 5.6 tp -77.97 -70.26 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.76 -167.3 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.57 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.09 158.36 28.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.587 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.55 -26.28 68.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.992 0.425 . . . . 0.0 110.413 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -81.81 -31.91 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.427 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 27.7 mt-30 -77.85 -11.9 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.228 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 107' ' ' CYS . 79.2 mt -50.07 92.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.951 0.405 . . . . 0.0 111.133 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.412 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 2.1 mmtt -111.15 75.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 103' ' ' ARG . 10.3 p -88.91 112.91 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.136 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.513 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 40.7 m-70 -114.07 -32.7 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.339 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.36 -113.87 5.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.051 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 2.0 p90 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 120.969 0.414 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.9 m-30 -65.02 168.05 7.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.474 HD11 ' HB3' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -110.68 100.9 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.997 179.476 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.526 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -77.38 120.05 21.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.141 -178.787 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 34.4 mm -77.56 -97.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.197 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 83.48 126.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.218 0.532 . . . . 0.0 112.367 178.558 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.461 HD11 HG22 ' A' ' 48' ' ' ILE . 40.9 mt -104.18 158.69 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.038 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.458 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.1 pt20 -136.01 87.53 2.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.915 0.388 . . . . 0.0 110.67 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.462 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 3.5 tt0 -92.83 106.9 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.328 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.85 123.44 27.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.087 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 t30 64.06 21.88 12.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.709 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.68 30.81 76.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.9 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.421 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 33.8 mmm-85 -144.57 -58.31 0.36 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.73 0.265 . . . . 0.0 111.487 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -65.73 71.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.945 0.403 . . . . 0.0 111.024 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.462 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -75.96 130.29 38.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.942 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.1 mp -139.57 96.24 3.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.67 117.58 13.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.021 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -103.01 147.37 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.406 . . . . 0.0 110.844 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.433 HG13 HG12 ' A' ' 63' ' ' ILE . 1.7 t -113.25 113.82 45.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.46 ' O ' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -114.21 141.36 47.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.596 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 44' ' ' ILE . . . 113.36 -21.43 17.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.751 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.53 HG21 ' N ' ' A' ' 64' ' ' ALA . 3.0 mm -66.66 150.24 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.53 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -88.74 131.58 34.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.602 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.44 -20.5 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.53 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.89 -23.03 67.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.735 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.499 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 6.8 m-30 -51.65 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.985 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.64 65.58 2.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.163 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -32.69 -42.81 0.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.874 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -55.67 -55.37 32.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -81.74 -22.79 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 HD22 ' HB3' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -51.78 -66.64 0.35 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.089 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.416 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 7.7 p -79.0 -38.81 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.482 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 5.1 tttm -53.2 -45.23 68.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.833 0.349 . . . . 0.0 110.787 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.85 -30.07 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.626 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.445 ' CD2' ' CD2' ' A' ' 98' ' ' LEU . 10.5 t80 -63.91 -47.11 81.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 27.0 mtmt -67.9 -12.35 60.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.201 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -96.88 -18.42 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.959 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.415 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 5.4 tttm -99.44 -48.5 4.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.441 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 0.6 OUTLIER -110.51 -12.57 14.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.798 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.71 46.13 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 0.0 110.648 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.3 m -112.4 136.27 52.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.946 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.43 95.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.464 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -103.28 131.43 10.62 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.477 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.2 p -139.08 123.46 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 111.547 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 11.6 p -83.37 117.79 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.93 149.4 33.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.757 0.313 . . . . 0.0 111.185 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -86.13 79.92 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.039 0.447 . . . . 0.0 110.479 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.442 ' HB2' ' CG2' ' A' ' 95' ' ' VAL . 2.2 t-80 -57.53 141.08 79.33 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.314 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.63 -17.19 8.75 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.687 2.258 . . . . 0.0 112.505 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.403 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -83.15 -23.68 32.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.966 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.403 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.4 m-85 -129.57 -53.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.99 106.95 2.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.63 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 66.73 76.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 0.0 111.51 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 89' ' ' HIS . 35.5 m -138.6 140.52 39.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.434 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -73.46 154.53 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.343 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.2 95.21 4.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.187 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 73.8 mt -85.68 158.16 20.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.405 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.42 141.16 30.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.83 -176.34 54.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -85.17 80.14 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.038 0.447 . . . . 0.0 110.447 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.451 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.2 OUTLIER -98.24 13.13 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.172 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.404 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -46.88 -36.71 7.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 110.967 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.404 ' N ' ' HG2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -91.5 -26.25 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.246 179.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.421 ' HB2' ' HG3' ' A' ' 102' ' ' GLN . 1.4 m-20 -70.28 -47.05 62.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.714 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 tp -61.83 -49.34 84.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.614 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 21.7 t -56.22 -32.96 64.91 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -37.8 62.55 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.59 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 77.3 t80 -68.51 -50.49 51.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.33 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.408 ' CD2' ' HB1' ' A' ' 116' ' ' ALA . 3.3 mp -56.08 -28.94 59.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.632 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 57.5 t -91.97 -30.88 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.939 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.83 -40.82 72.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.44 HD12 ' CE2' ' A' ' 109' ' ' PHE . 8.4 pt -93.18 -14.01 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.586 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.98 33.73 26.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.84 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.471 ' HG ' ' HE2' ' A' ' 67' ' ' TYR . 11.6 tp -79.98 -76.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.645 0.26 . . . . 0.0 111.163 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.408 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -74.54 -163.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.424 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 144.38 49.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.373 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.467 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 1.4 p-10 -55.43 -30.13 59.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -78.38 -21.31 49.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.152 0.501 . . . . 0.0 109.878 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.474 ' HB3' HD11 ' A' ' 44' ' ' ILE . 11.2 mt-30 -100.65 -9.5 21.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.315 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 31.0 mt -55.26 92.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 110.789 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -114.16 87.33 2.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.033 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.8 p -100.47 128.93 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.039 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.526 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 9.8 m-70 -134.66 87.11 2.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.784 0.326 . . . . 0.0 111.59 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.97 117.87 12.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.996 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.454 ' CZ ' ' CB ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.315 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 121.058 0.456 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.451 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.8 m-30 -89.04 171.41 9.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.022 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.422 HG22 ' CD2' ' A' ' 110' ' ' LEU . 24.2 mm -107.94 97.1 5.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.355 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -71.03 115.89 10.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.941 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.459 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 31.6 mm -74.24 -95.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.387 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 9.9 tpt180 85.74 120.87 0.04 OUTLIER 'General case' 0 C--N 1.344 0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 112.048 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.511 HG22 HD11 ' A' ' 48' ' ' ILE . 11.4 mt -108.41 156.58 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.278 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.5 pt20 -134.81 100.33 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.606 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.439 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 3.0 tt0 -100.75 115.37 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.276 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -100.46 137.33 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 59.54 21.4 9.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.894 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.12 46.91 92.26 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.63 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -175.12 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.691 0.282 . . . . 0.0 111.35 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 68.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.992 0.425 . . . . 0.0 110.76 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.439 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -79.92 138.83 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.99 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mp -145.32 97.82 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.607 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.17 126.46 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.213 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -108.64 155.34 20.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.892 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.429 ' CG2' HG12 ' A' ' 106' ' ' ILE . 55.0 t -123.65 117.83 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.298 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.431 ' HG3' ' CG ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -115.16 140.33 49.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.345 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.0 -40.88 2.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.495 HG21 ' N ' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -48.52 148.02 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-O 120.786 0.326 . . . . 0.0 110.325 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.495 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -90.5 165.36 13.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.062 -178.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.37 -28.2 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.262 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.93 -29.83 70.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.175 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.556 ' CD2' ' CD1' ' A' ' 115' ' ' LEU . 4.0 m-30 -52.77 117.87 3.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.49 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.29 97.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.36 . . . . 0.0 111.042 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -41.64 -56.59 2.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.622 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 22.2 mttp -59.26 -49.16 78.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.402 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -56.1 -16.72 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.57 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -99.12 -63.25 1.14 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.481 0.181 . . . . 0.0 111.312 -179.563 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 74' ' ' LYS . 8.5 p -78.36 -46.44 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.703 0.287 . . . . 0.0 111.224 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -61.69 -43.64 98.46 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.326 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.16 88.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.075 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 18.1 t80 -50.64 -39.65 51.04 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -74.33 -6.61 49.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.32 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -104.31 -22.2 13.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.845 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.29 -43.37 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.373 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -116.86 -14.1 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.687 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 69.45 37.86 1.91 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.6 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.7 t -107.1 157.91 17.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.931 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.99 125.36 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -133.63 146.33 18.27 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.64 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.6 p -143.54 161.43 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.709 0.29 . . . . 0.0 110.852 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.2 p -110.26 107.68 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -111.66 159.91 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 111.347 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -106.68 73.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.045 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -49.11 139.23 13.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.605 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.34 -20.0 11.4 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.56 2.173 . . . . 0.0 112.105 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -80.75 -23.62 39.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -119.67 -50.48 2.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 118.38 -17.17 11.45 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.331 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.3 105.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.918 0.359 . . . . 0.0 111.052 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.427 HG13 ' CG ' ' A' ' 61' ' ' GLN . 15.6 m -152.25 151.77 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -78.1 158.14 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.406 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.6 OUTLIER -132.17 90.68 2.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.839 0.352 . . . . 0.0 111.484 -179.278 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.435 HD12 ' CZ ' ' A' ' 76' ' ' PHE . 13.7 mt -78.04 157.82 29.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.049 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.45 147.05 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 69.27 177.91 17.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.221 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -79.23 95.05 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.48 7.99 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.432 ' HB2' ' CG2' ' A' ' 123' ' ' VAL . 0.0 OUTLIER -48.54 -27.61 2.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 111.184 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -93.25 -24.46 18.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -92.42 -36.26 13.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.268 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.429 HG12 ' CG2' ' A' ' 60' ' ' VAL . 8.0 tp -63.73 -50.79 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.034 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.407 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 0.1 OUTLIER -57.82 -35.15 70.46 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.432 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -31.31 64.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.495 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.453 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 76.6 t80 -71.18 -53.47 14.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.531 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.422 ' CD2' HG22 ' A' ' 44' ' ' ILE . 4.7 mp -55.63 -27.15 48.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.555 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.5 t -90.13 -30.11 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.26 -52.76 12.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.819 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.472 HD13 HD11 ' A' ' 115' ' ' LEU . 11.7 pt -76.52 -13.99 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.61 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.84 30.19 29.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.584 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.556 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 8.3 tp -73.2 -66.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.417 . . . . 0.0 111.061 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.16 170.02 8.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.05 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.53 152.31 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -55.79 -28.36 55.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.701 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.47 -30.82 42.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.248 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.451 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 22.0 mt-30 -74.03 -15.45 61.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.112 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.8 mt -51.94 92.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.068 0.461 . . . . 0.0 111.201 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -112.23 74.06 0.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.692 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 103' ' ' ARG . 10.8 p -91.28 120.95 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.529 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 24.6 m-70 -120.66 -20.2 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.588 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.12 -110.57 1.36 Allowed Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.598 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.452 ' CD2' HG23 ' A' ' 48' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.925 0.393 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 15.7 m-85 -65.33 175.88 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.0 mm -113.13 96.77 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.077 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.34 139.89 56.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.809 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.505 HD13 HG22 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -141.63 107.69 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.544 179.411 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -120.76 154.49 35.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.307 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.487 HG22 HD11 ' A' ' 48' ' ' ILE . 14.6 mt -109.28 156.63 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.442 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.438 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 7.7 pt20 -138.32 88.46 2.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.506 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.5 tt0 -91.43 108.08 19.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.384 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -81.58 120.36 24.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.382 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 66.55 22.07 10.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.753 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.79 25.45 75.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.993 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -142.77 -66.07 0.39 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.843 0.322 . . . . 0.0 111.469 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -59.22 82.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -87.68 138.96 31.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.191 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.515 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.1 mp -141.65 86.59 2.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.8 m -62.26 113.98 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.49 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -99.0 166.62 11.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.784 179.444 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.401 ' CG2' HG12 ' A' ' 106' ' ' ILE . 47.3 t -135.36 129.81 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.405 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.85 141.34 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.29 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.12 -24.01 13.29 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.952 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.517 HG21 ' N ' ' A' ' 64' ' ' ALA . 2.9 mm -69.97 148.17 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 0.0 110.562 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.517 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -92.49 130.14 38.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.461 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -58.33 -21.95 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -61.51 -21.21 64.03 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.818 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.594 ' CE2' ' HG ' ' A' ' 115' ' ' LEU . 7.1 m-30 -52.05 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.731 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -51.55 -26.54 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.093 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.29 -81.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.621 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.8 OUTLIER -56.86 -50.88 71.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 179.498 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -22.05 57.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.802 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' CD1' HD22 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -54.07 -60.51 3.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.403 ' HB ' HD13 ' A' ' 96' ' ' ILE . 12.0 p -85.57 -36.66 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.434 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -44.0 69.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 0.0 110.601 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.71 -30.58 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.465 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CE1' HD11 ' A' ' 106' ' ' ILE . 8.9 t80 -61.96 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.635 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 21.0 mtmt -71.56 -8.97 57.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.248 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -101.54 -19.58 15.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.321 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -99.28 -46.75 5.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.242 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 1.1 m-85 -109.82 -12.84 14.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.553 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 61.56 46.46 7.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.01 0.433 . . . . 0.0 110.66 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 55.9 m -116.02 135.53 53.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.57 95.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.4 ' HA3' ' CG2' ' A' ' 73' ' ' VAL . . . -103.93 137.2 13.4 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.523 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.401 ' O ' HG21 ' A' ' 96' ' ' ILE . 66.1 p -132.0 159.26 39.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.961 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 8.3 p -115.06 83.14 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.4 pt -91.53 156.76 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 111.621 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -110.16 73.96 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.019 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -50.98 132.08 29.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.296 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.47 -15.06 19.93 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.445 2.097 . . . . 0.0 112.153 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.438 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.1 OUTLIER -84.69 -23.56 29.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.438 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -125.26 -53.15 1.61 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.002 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.75 -102.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.1 87.7 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.811 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.62 135.81 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.314 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.2 mm -74.84 150.92 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.983 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 1.4 tt0 -124.03 107.24 11.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.926 0.393 . . . . 0.0 111.278 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.515 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 82.0 mt -94.18 158.16 15.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.056 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.95 132.45 41.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.63 174.59 50.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.248 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.57 76.07 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.995 0.426 . . . . 0.0 110.624 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.412 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -88.38 9.03 24.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -28.93 1.21 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.871 0.367 . . . . 0.0 111.166 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -23.37 16.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 108' ' ' GLN . 26.6 m-80 -86.74 -35.31 19.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.734 0.302 . . . . 0.0 111.215 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.505 HG22 HD13 ' A' ' 46' ' ' ILE . 8.0 tp -65.68 -47.72 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.771 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.415 ' N ' HG22 ' A' ' 106' ' ' ILE . 7.4 m -55.81 -31.87 63.04 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 105' ' ' ASN . 8.0 mm100 -69.0 -44.24 73.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.769 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.459 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 60.4 t80 -61.1 -55.96 26.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.25 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 5.8 mp -52.63 -29.23 25.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.038 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.6 t -93.19 -26.92 4.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.207 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.97 -44.25 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.459 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 11.4 pt -87.59 -11.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.67 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.18 36.11 28.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.775 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.594 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 5.3 tp -84.19 -73.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.708 0.29 . . . . 0.0 111.14 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.402 ' HB2' ' HB3' ' A' ' 110' ' ' LEU . . . -83.83 -162.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.495 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 147.84 47.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.683 0.278 . . . . 0.0 110.449 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.407 ' HA ' HD13 ' A' ' 121' ' ' LEU . 27.9 p-10 -58.92 -32.13 69.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.988 0.423 . . . . 0.0 110.393 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -80.4 -27.82 38.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.112 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.44 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 32.8 mt-30 -80.86 -7.75 59.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.163 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 118' ' ' ASP . 62.6 mt -54.37 87.57 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.909 0.385 . . . . 0.0 110.988 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 120' ' ' GLN . 7.2 mmtt -106.33 76.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.98 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.1 p -88.47 117.43 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -116.19 80.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -54.2 118.53 9.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.27 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.238 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.006 0.431 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -62.27 163.74 7.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.163 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.4 mm -114.74 99.89 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.372 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -72.05 124.41 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.126 -178.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.486 ' HB ' ' HA ' ' A' ' 123' ' ' VAL . 22.3 mm -86.0 -97.24 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.869 178.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.96 137.58 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.399 0.619 . . . . 0.0 112.462 178.483 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.422 ' CG2' ' CG2' ' A' ' 56' ' ' THR . 5.7 mt -117.34 155.25 19.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.285 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.415 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 3.6 pt20 -140.55 98.11 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.067 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 0.5 OUTLIER -97.05 105.42 17.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.611 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -59.49 -80.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.556 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -91.85 47.48 1.36 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.256 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.71 26.09 23.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.369 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.16 -39.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.677 0.275 . . . . 0.0 110.972 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 62.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.049 0.452 . . . . 0.0 110.331 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.427 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -69.4 139.71 54.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.827 -179.662 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 5.4 mt -142.99 91.5 2.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.9 m -64.51 140.9 58.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.001 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -119.76 157.48 28.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.017 0.437 . . . . 0.0 111.166 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.434 ' CG2' HG12 ' A' ' 106' ' ' ILE . 49.0 t -128.92 113.77 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.167 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -115.94 144.27 44.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.549 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.93 -26.43 12.54 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.046 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.504 HG21 ' CD2' ' A' ' 67' ' ' TYR . 5.2 mm -64.18 147.94 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.444 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -87.45 132.22 34.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.523 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.89 -20.71 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.589 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -24.43 67.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.759 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 63' ' ' ILE . 5.9 m-30 -52.34 -178.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.976 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -91.84 88.68 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.429 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -43.89 -34.41 1.63 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.348 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -79.72 -42.62 24.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -77.9 6.01 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.698 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.438 ' CD2' ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -110.48 -65.09 1.19 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.702 0.286 . . . . 0.0 111.01 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 74' ' ' LYS . 3.3 p -79.33 -44.28 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.8 ttpt -64.63 -44.83 89.25 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.8 99.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.684 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 18.6 t80 -49.12 -40.77 33.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.559 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 3.8 mtmt -71.51 -10.04 59.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.539 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -102.89 -19.03 14.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.681 0.277 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.48 -36.86 11.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.426 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -118.56 -18.63 9.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 74.9 34.25 0.7 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.842 0.354 . . . . 0.0 110.999 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.64 178.16 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.801 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.86 128.04 54.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -125.43 144.88 15.42 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.859 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -125.52 160.83 28.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.32 . . . . 0.0 110.944 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.5 p -116.54 71.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.96 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -83.12 148.37 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.548 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -103.96 76.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.974 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -51.85 130.17 38.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.276 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.41 -15.15 22.45 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.4 2.066 . . . . 0.0 112.27 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.439 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 1.6 tm-20 -83.92 -24.62 30.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -125.8 -52.16 1.57 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.363 . . . . 0.0 111.052 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.51 -111.29 0.63 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.245 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -105.63 92.73 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.6 m -121.28 137.97 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -74.65 157.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.579 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.423 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -131.39 97.9 4.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.756 0.312 . . . . 0.0 111.201 -179.357 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 9.7 mt -85.05 156.45 21.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.237 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.95 143.92 26.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.212 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.43 175.02 36.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.714 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -76.2 79.39 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.687 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.403 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -93.56 12.65 24.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.166 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -27.46 8.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 0.0 110.73 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.33 -22.3 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.913 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -83.71 -34.22 24.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.434 HG12 ' CG2' ' A' ' 60' ' ' VAL . 9.7 tp -67.13 -49.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.656 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.1 t -50.77 -33.27 22.62 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -43.53 64.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.934 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.428 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 35.7 t80 -62.26 -49.39 75.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.813 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.2 mp -56.82 -29.56 62.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.84 -25.1 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.189 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.72 -40.73 47.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.428 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 6.6 pt -96.65 -1.32 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.535 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.78 33.04 66.52 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.901 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.499 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 6.7 tp -74.81 -72.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.944 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -89.85 -165.57 1.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.526 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.14 147.06 49.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.309 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 3.4 p30 -53.76 -29.44 39.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 111.046 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.47 -23.08 40.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.3 -8.86 49.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.437 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 88.6 mt -52.76 93.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.042 0.449 . . . . 0.0 110.832 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -114.7 84.06 2.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.976 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.486 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 13.3 p -96.41 123.71 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.304 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 14.4 m-70 -129.03 80.98 2.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.466 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.02 121.66 25.36 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.035 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.302 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.46 0.036 0 CA-C-O 121.054 0.454 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -69.92 163.22 26.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.42 ' CD1' ' HA3' ' A' ' 62' ' ' GLY . 43.7 mm -111.56 103.01 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.33 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -79.83 115.7 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.361 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 26.0 mm -73.17 -94.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.335 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 86.46 126.76 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 112.262 178.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 49' ' ' GLN . 5.9 mt -108.39 158.59 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.067 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.458 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 8.3 pt20 -142.36 102.16 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.936 0.398 . . . . 0.0 110.611 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.457 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 1.4 tt0 -104.02 123.07 46.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.453 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -87.58 117.33 26.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.256 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t30 64.2 21.19 12.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.58 39.5 60.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.972 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 31.0 mtp85 -152.33 -65.5 0.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.83 0.315 . . . . 0.0 111.512 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -63.51 76.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 0.0 110.837 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.457 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -78.87 142.26 36.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.224 -179.649 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.41 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.5 mp -146.73 97.62 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.1 m -72.49 125.35 27.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -106.35 159.03 16.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.988 0.423 . . . . 0.0 111.259 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.41 ' CG2' HG12 ' A' ' 106' ' ' ILE . 92.6 t -125.63 122.27 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.874 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.44 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -120.93 139.66 52.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.01 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' HA3' ' CD1' ' A' ' 44' ' ' ILE . . . 111.23 -26.25 12.52 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.35 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.492 HG21 ' CD2' ' A' ' 67' ' ' TYR . 5.7 mm -66.42 146.11 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 111.058 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.464 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -88.54 133.31 34.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.566 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.64 -20.4 60.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.612 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.28 -22.72 67.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.492 ' CD2' HG21 ' A' ' 63' ' ' ILE . 6.3 m-30 -52.8 -177.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.73 89.53 7.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -43.95 -32.11 1.05 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.444 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 11.6 mtmm -78.12 -53.48 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -66.59 -3.01 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.946 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -102.46 -75.76 0.59 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.717 0.294 . . . . 0.0 111.451 -179.695 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.421 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 2.6 p -75.63 -42.88 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.129 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -62.5 -45.34 93.46 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.079 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.82 92.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.016 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.419 ' CZ ' HD12 ' A' ' 98' ' ' LEU . 15.5 t80 -46.57 -48.43 19.58 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.041 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.1 mtpp -64.52 -15.04 60.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.665 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.07 -19.73 17.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.775 0.321 . . . . 0.0 111.322 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.43 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 2.4 tttp -97.94 -34.13 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.617 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 19.1 m-85 -115.84 -17.15 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 71.44 31.39 2.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.94 0.4 . . . . 0.0 110.621 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 57.3 m -105.59 178.67 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.0 117.53 34.45 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -114.97 133.47 11.03 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.861 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.9 p -121.43 169.7 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' A' ' 86' ' ' VAL . 10.0 p -118.88 78.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.22 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pt -84.61 153.16 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.472 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -106.48 71.88 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.066 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -47.52 140.17 7.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.463 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.22 -22.57 9.64 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.54 2.16 . . . . 0.0 111.982 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -79.33 -23.85 43.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.987 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.439 ' CG ' ' HG3' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -117.45 -49.21 2.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 112.95 -18.61 21.63 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.705 -0.76 . . . . 0.0 113.012 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -176.49 110.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.784 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.44 HG13 ' CG ' ' A' ' 61' ' ' GLN . 16.5 m -154.78 147.3 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.362 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -77.66 155.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.404 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 0.9 OUTLIER -129.34 96.17 4.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.715 0.293 . . . . 0.0 111.497 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.424 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 7.1 mt -82.27 157.84 23.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.156 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.57 143.0 26.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.774 0.321 . . . . 0.0 111.022 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.62 172.99 39.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.354 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -77.31 79.12 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.42 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -89.1 11.31 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.777 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.445 ' CG ' ' CG2' ' A' ' 123' ' ' VAL . 4.5 ttt-85 -45.73 -30.72 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -100.16 -22.13 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.206 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -85.33 -36.27 20.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.354 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.41 HG12 ' CG2' ' A' ' 60' ' ' VAL . 8.9 tp -65.27 -49.41 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.253 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 28.8 p -53.57 -32.36 50.59 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.408 0.623 . . . . 0.0 109.411 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -44.12 68.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.881 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 40.7 t80 -61.43 -47.96 83.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.24 -28.91 65.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 50.8 t -95.32 -24.99 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.29 -39.86 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.111 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.426 HD12 ' CE2' ' A' ' 109' ' ' PHE . 5.8 pt -96.67 -1.21 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.5 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.41 31.27 63.51 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.939 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.485 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 5.8 tp -76.02 -71.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.85 166.56 12.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.455 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 150.38 22.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.4 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.5 p-10 -55.31 -28.35 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.77 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.68 -21.04 45.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.36 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 122' ' ' LYS . 11.8 mt-30 -94.05 -3.66 50.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 24.9 mt -58.25 78.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.925 0.393 . . . . 0.0 111.314 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.1 mmtt -101.5 73.07 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.938 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.445 ' CG2' ' CG ' ' A' ' 103' ' ' ARG . 6.4 p -89.51 128.32 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.817 -178.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 11.3 m-70 -137.82 139.85 40.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.95 129.45 8.93 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.165 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.545 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.967 0.413 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 120' ' ' GLN . 21.9 m-30 -73.26 161.22 30.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.017 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.42 HG12 ' HB3' ' A' ' 120' ' ' GLN . 30.2 mm -113.31 93.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.181 0.515 . . . . 0.0 110.274 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -66.33 116.28 7.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.425 -178.839 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 26.9 mm -79.51 -96.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.862 178.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.15 134.89 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.41 0.624 . . . . 0.0 112.371 178.577 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.43 HG21 ' CG2' ' A' ' 56' ' ' THR . 3.4 mt -116.77 154.44 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.876 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.9 pt20 -143.49 99.27 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 111.152 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.471 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.4 tt0 -100.19 99.14 9.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.743 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -54.61 44.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.452 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.1 -151.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.747 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.43 34.29 4.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.302 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.6 OUTLIER 177.07 -27.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 67.73 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.079 0.466 . . . . 0.0 110.686 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -86.49 151.15 23.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.044 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 6.1 mt -145.92 81.28 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.6 m -60.09 137.66 58.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -121.19 156.81 31.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.018 0.437 . . . . 0.0 111.389 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.487 ' CG2' HG12 ' A' ' 106' ' ' ILE . 84.6 t -124.48 120.97 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.048 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.412 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -119.78 146.31 45.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.64 179.763 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.93 -23.52 30.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.252 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.515 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -72.76 146.2 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.436 . . . . 0.0 111.08 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -80.55 139.07 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.977 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -65.63 -14.05 60.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -95.66 30.43 2.32 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.722 0.296 . . . . 0.0 111.35 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.515 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 3.5 m-30 -89.28 24.79 2.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.364 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 4.6 t70 82.21 -16.9 0.57 Allowed 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 63.74 -76.35 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.68 0.276 . . . . 0.0 111.447 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 7.0 pttm -50.34 -47.0 56.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 111.352 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -12.67 5.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.6 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -98.68 -67.89 0.83 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.64 0.257 . . . . 0.0 111.385 -179.494 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 74' ' ' LYS . 4.4 p -78.75 -45.79 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.212 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.422 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 1.8 ttmt -61.96 -43.74 98.21 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.56 91.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.235 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 11.7 t80 -45.95 -52.06 12.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.813 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 14.3 mtmt -61.72 -22.31 65.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -17.79 49.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.857 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 35.4 tttp -104.43 -45.32 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.576 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 0.5 OUTLIER -115.17 -16.77 11.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.771 -179.357 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 67.01 38.5 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.652 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.93 136.18 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.51 109.46 1.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -112.97 136.7 13.66 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.484 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.2 p -133.47 122.06 23.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.165 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 8.0 p -77.32 95.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -96.39 150.73 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.298 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -100.83 71.22 1.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.094 0.473 . . . . 0.0 110.226 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -46.72 138.62 6.88 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.456 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -77.74 -20.47 11.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.53 2.154 . . . . 0.0 112.094 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -82.28 -23.97 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -116.64 -50.52 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.984 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 115.2 -19.48 15.0 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.711 -0.756 . . . . 0.0 113.239 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.36 107.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.815 0.307 . . . . 0.0 111.029 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.412 HG13 ' CG ' ' A' ' 61' ' ' GLN . 12.6 m -152.54 145.4 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -77.09 157.6 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.162 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.411 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -134.08 97.69 3.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 0.0 111.279 -179.351 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 17.3 mt -85.18 157.85 20.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.188 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -95.15 135.1 37.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.19 165.79 34.95 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.24 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 5.3 p-10 -66.09 96.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.76 4.92 22.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.065 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -47.77 -27.62 2.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.785 0.326 . . . . 0.0 111.226 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -94.29 -26.41 16.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -86.83 -41.16 14.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.487 HG12 ' CG2' ' A' ' 60' ' ' VAL . 8.1 tp -60.16 -49.9 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 82.6 m -57.67 -34.04 68.97 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.31 -32.4 66.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.512 178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.452 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 79.0 t80 -74.42 -45.22 47.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.458 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.1 mp -57.89 -29.33 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.837 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.6 t -92.65 -28.65 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.84 -43.19 65.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 9.4 pt -87.56 -24.9 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.329 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.2 30.07 8.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.789 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.501 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 3.8 tp -79.1 -71.82 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.44 -164.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.709 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.42 153.71 40.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.66 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.431 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 12.5 t0 -55.62 -24.26 32.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.709 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.421 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 53.9 m-20 -77.28 -21.5 53.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 109.824 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.44 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 10.3 mt-30 -106.68 -11.03 15.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.132 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.431 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 14.4 mt -51.02 93.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.414 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 3.1 mmtt -112.34 80.23 1.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.2 p -92.13 113.75 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 33.9 m-70 -114.31 -26.19 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.41 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 51.71 -108.73 0.66 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.428 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.971 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 120' ' ' GLN . 19.9 m-30 -56.41 162.72 2.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.255 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' HB3' ' A' ' 116' ' ' ALA . 44.2 mm -115.11 102.31 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.37 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.515 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -73.33 129.52 38.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.104 -179.001 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' A' ' 123' ' ' VAL . 23.5 mm -91.66 -98.01 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.947 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 2.8 ttt85 86.12 134.86 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.305 0.574 . . . . 0.0 112.423 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.499 HD11 HG22 ' A' ' 48' ' ' ILE . 17.0 mt -114.9 155.58 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.425 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.423 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.6 pt20 -138.67 94.23 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.489 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 2.1 tt0 -93.59 116.88 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.245 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -95.55 125.14 39.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.405 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 66.39 21.82 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.22 44.02 96.2 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.719 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -167.74 -45.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.0 111.323 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -70.37 65.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 110.674 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.45 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -73.98 135.41 43.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.079 -179.744 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.2 mt -142.63 110.33 5.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.61 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -89.83 118.61 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 110.97 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -101.1 161.68 13.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.951 0.405 . . . . 0.0 111.296 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.438 ' CG2' HG12 ' A' ' 106' ' ' ILE . 45.7 t -129.48 117.58 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -116.31 142.91 46.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.392 179.662 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.07 -29.84 7.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.0 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.5 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 8.5 mm -57.84 144.67 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.936 0.398 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.403 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -80.62 137.53 36.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.574 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -17.15 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.795 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.52 -26.45 64.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.947 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.5 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 5.2 m-30 -47.67 166.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -82.01 70.41 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.144 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -35.75 -46.23 0.43 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.865 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 7.3 mmtp -55.92 -54.82 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -4.19 57.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.408 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.417 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 2.8 tt -71.87 -64.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.784 0.326 . . . . 0.0 110.714 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.79 -35.94 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.557 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 4.8 tptt -52.85 -43.61 66.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.22 -31.72 73.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CZ ' HD12 ' A' ' 98' ' ' LEU . 8.9 t80 -59.78 -42.73 94.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -8.73 56.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.253 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -103.79 -19.56 14.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 111.056 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -97.0 -42.89 7.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.336 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 3.7 m-85 -111.74 -15.69 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.608 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 68.13 37.59 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.815 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.8 m -108.66 169.16 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -92.01 110.47 21.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.772 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -116.65 139.89 15.55 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.747 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.0 p -135.34 168.71 18.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.4 p -117.9 118.06 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.5 pt -124.56 148.22 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.304 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -102.84 74.25 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.6 t-80 -59.79 138.07 90.21 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.012 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.64 -20.03 9.58 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.6 2.2 . . . . 0.0 112.277 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.474 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -79.73 -23.71 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.474 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -124.22 -50.39 1.79 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.962 -179.677 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.84 106.65 2.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.685 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 55.17 83.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.768 0.318 . . . . 0.0 111.213 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.5 m -131.77 131.51 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -70.29 157.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.078 179.587 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.418 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 1.1 tt0 -132.79 105.88 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.367 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.46 HD12 ' CZ ' ' A' ' 76' ' ' PHE . 9.1 mt -92.02 156.99 17.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.159 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.29 141.86 29.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.79 0.328 . . . . 0.0 110.802 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.03 175.44 48.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.101 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.94 87.32 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.983 0.42 . . . . 0.0 110.756 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.21 13.11 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.057 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.8 ptt85 -52.01 -25.34 8.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.846 0.355 . . . . 0.0 111.049 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.57 -20.62 13.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -88.04 -34.49 17.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.438 HG12 ' CG2' ' A' ' 60' ' ' VAL . 8.1 tp -64.82 -50.04 77.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.351 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.1 p -53.49 -33.28 53.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.44 0.638 . . . . 0.0 109.413 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -47.27 65.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.986 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.442 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 61.8 t80 -59.18 -51.01 71.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.192 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 5.2 mp -55.56 -29.34 58.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.23 -24.89 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.274 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.55 -42.08 30.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.115 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.442 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 12.2 pt -88.75 -22.01 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.328 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.27 35.57 6.24 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.726 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.491 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 4.6 tp -84.48 -71.3 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.805 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.428 ' HB2' ' HB3' ' A' ' 110' ' ' LEU . . . -90.42 -164.44 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 152.62 46.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -59.47 -28.9 67.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.651 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.23 -28.28 34.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.365 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 14.9 mt-30 -83.59 -6.37 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.23 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.4 mt -52.88 92.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.038 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.55 83.76 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.479 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 14.9 p -97.08 125.44 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.303 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.515 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 14.0 m-70 -128.35 77.57 1.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.309 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.04 120.96 25.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.39 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.423 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 121.008 0.432 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.443 ' HB3' ' CG ' ' A' ' 122' ' ' LYS . 22.0 m-30 -60.81 161.09 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.137 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.431 HG13 ' HB3' ' A' ' 116' ' ' ALA . 38.6 mm -111.11 92.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.137 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.551 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -67.2 113.95 5.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.363 -178.847 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.476 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 28.1 mm -77.64 -96.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.999 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 4.9 ttt180 86.15 135.16 0.05 OUTLIER 'General case' 0 C--N 1.344 0.329 0 CA-C-O 121.189 0.519 . . . . 0.0 112.162 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.439 HD11 HG22 ' A' ' 48' ' ' ILE . 6.1 mt -113.75 154.36 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.011 179.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.0 OUTLIER -137.9 103.23 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 111.207 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -105.29 101.34 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.506 179.702 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.16 -80.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.614 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -92.6 44.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.868 0.366 . . . . 0.0 111.196 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.29 24.64 52.36 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.291 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -150.59 -46.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -70.93 66.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.03 0.443 . . . . 0.0 110.483 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.457 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -73.2 139.58 46.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.047 -179.624 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.454 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 2.1 mp -142.45 97.78 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.739 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 117.97 14.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -98.19 152.24 19.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.748 179.578 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 106' ' ' ILE . 67.5 t -121.13 117.91 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.958 0.409 . . . . 0.0 110.784 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.66 152.65 32.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.825 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.28 -30.25 10.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.939 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 67' ' ' TYR . 3.7 mm -60.9 148.42 9.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.929 0.395 . . . . 0.0 111.022 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.426 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -88.25 133.25 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.429 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -58.28 -22.18 51.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.595 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.17 -27.39 67.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.525 ' CD2' ' CD1' ' A' ' 115' ' ' LEU . 4.3 m-30 -53.22 -177.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.687 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -95.77 80.52 3.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.976 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -38.45 -56.43 1.26 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.991 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -47.79 81.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.065 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -61.48 -38.54 87.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.517 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -56.93 -54.53 45.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.541 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 t -73.97 -44.75 50.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.237 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -55.89 -44.89 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.092 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.86 73.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.103 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.484 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 19.4 t80 -49.2 -55.96 10.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.031 0.443 . . . . 0.0 110.785 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 16.1 mtmt -59.64 -18.93 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.446 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.73 -19.2 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.672 0.272 . . . . 0.0 111.514 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HD3' ' CE2' ' A' ' 80' ' ' PHE . 3.9 tmtm? -95.4 -36.7 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.421 ' CE2' ' HD3' ' A' ' 79' ' ' LYS . 2.8 m-85 -119.39 -13.88 9.23 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 74.16 27.53 1.53 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 73.4 m -89.95 -170.6 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.717 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.5 OUTLIER -115.73 113.35 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.84 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.76 139.56 14.66 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.409 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -150.05 122.48 8.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.516 ' HA ' HD13 ' A' ' 96' ' ' ILE . 11.5 p -78.71 144.87 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.287 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pp -156.62 158.25 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -105.76 77.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.183 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.7 t-80 -55.97 131.84 73.74 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.396 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -77.41 -13.85 16.51 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.555 2.17 . . . . 0.0 112.148 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.452 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.53 -23.58 29.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.409 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.0 m-85 -128.15 -54.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.88 107.66 3.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.774 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.18 88.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.437 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.8 m -146.04 148.61 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 86' ' ' VAL . 0.5 OUTLIER -84.6 130.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.088 0.47 . . . . 0.0 110.679 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.44 106.67 17.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.039 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 3.3 mp -89.78 165.61 14.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.589 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.404 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 5.9 tm0? -104.84 139.52 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.855 0.36 . . . . 0.0 111.01 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.19 -179.29 42.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.25 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.406 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 7.7 p-10 -79.35 88.78 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.4 . . . . 0.0 110.611 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.413 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -104.73 5.29 33.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.937 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.83 -28.03 2.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -93.48 -23.64 18.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -89.63 -34.43 16.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.69 0.281 . . . . 0.0 111.165 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.457 HG12 ' CG2' ' A' ' 60' ' ' VAL . 9.4 tp -64.91 -51.44 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.995 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.6 p -54.97 -34.81 63.66 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -34.93 65.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.559 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.464 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 80.6 t80 -71.76 -47.67 52.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 4.9 mp -56.94 -29.51 63.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.752 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 51.8 t -92.08 -28.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.43 -44.61 57.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.464 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 10.3 pt -86.01 -24.32 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.459 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.98 32.46 7.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.659 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 7.2 tp -79.82 -67.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.761 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.431 ' HB3' HG13 ' A' ' 44' ' ' ILE . . . -94.3 -165.38 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.52 145.16 51.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.506 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.403 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.3 p-10 -51.98 -27.58 13.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.026 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -80.5 -26.3 38.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.519 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.412 ' HB3' HG12 ' A' ' 44' ' ' ILE . 16.8 mt-30 -89.21 -4.29 58.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.403 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 42.5 mt -53.87 90.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.123 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.443 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 2.8 mmtt -112.02 79.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.678 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.407 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 11.9 p -92.5 117.72 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.332 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.551 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 16.8 m-70 -123.81 81.34 1.9 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.441 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.02 121.28 25.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.055 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.473 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.325 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 121.151 0.5 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 119' ' ' ASP . 17.1 m-85 -66.04 176.87 1.52 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.041 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.422 HG12 ' NE2' ' A' ' 120' ' ' GLN . 23.7 mm -117.36 101.5 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.14 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.502 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -68.9 128.99 38.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.733 -179.205 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.446 HD13 HG22 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -124.49 106.2 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.321 179.004 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.46 165.68 11.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.459 -178.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.562 ' CG2' ' CD2' ' A' ' 126' ' ' PHE . 2.1 tt -136.25 141.9 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.721 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 56' ' ' THR . 0.7 OUTLIER -129.12 91.42 3.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.748 0.309 . . . . 0.0 111.449 -179.578 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.532 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 14.1 tt0 -94.02 98.91 11.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.1 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.98 138.52 31.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.609 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.7 t30 61.79 22.42 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.995 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.17 42.06 99.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.491 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 12.4 ptm180 -175.01 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.715 0.293 . . . . 0.0 111.269 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -68.53 70.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -86.72 143.55 27.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.387 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -147.44 88.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.353 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.0 m -63.44 126.27 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.669 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -112.5 161.22 16.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.839 179.388 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.41 HG21 HD11 ' A' ' 46' ' ' ILE . 44.9 t -131.06 126.06 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.223 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.428 ' OE1' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -123.24 143.59 49.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.482 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.71 -27.22 12.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.119 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.53 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 2.9 mm -61.65 145.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.976 0.417 . . . . 0.0 110.966 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.466 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -79.87 144.71 33.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.093 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.41 -9.2 57.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.244 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -94.59 25.09 4.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.275 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.53 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 5.6 m-30 -89.25 25.57 1.86 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.289 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 3.1 t0 80.46 -15.01 0.78 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.763 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 62.36 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 111.124 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -53.26 -67.32 0.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.191 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -48.0 -27.16 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.377 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 1.5 tt -62.09 -68.93 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.412 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 10.7 p -82.38 -40.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.62 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -47.63 -42.95 25.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.075 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.43 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -60.45 -46.66 89.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.9 mtpt -70.1 -9.76 56.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.307 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.55 -21.39 13.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.704 0.288 . . . . 0.0 110.965 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 tmtm? -95.07 -37.61 11.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.403 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.449 ' CZ ' ' CD ' ' A' ' 79' ' ' LYS . 7.7 m-85 -114.92 -18.08 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.551 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 73.26 32.37 1.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.972 0.415 . . . . 0.0 110.771 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.9 m -105.04 -177.49 3.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.638 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -107.73 116.14 31.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 109.985 179.724 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.412 ' HA3' ' CG2' ' A' ' 73' ' ' VAL . . . -123.66 131.1 7.93 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.361 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.2 p -125.27 168.34 13.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.906 0.384 . . . . 0.0 111.248 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.6 p -118.01 107.96 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.781 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.1 pt -115.16 151.72 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.429 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -101.9 71.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.561 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -55.68 136.22 71.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.134 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.97 -18.42 13.05 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.531 2.154 . . . . 0.0 112.165 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -81.16 -23.56 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.443 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -123.46 -51.23 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.076 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.67 99.6 2.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 62.09 88.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.6 m -140.57 137.36 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.4 mm -73.13 155.83 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.131 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.434 ' CG ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -132.48 103.56 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.799 0.333 . . . . 0.0 111.509 -179.296 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 3.2 mt -90.56 156.36 18.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.91 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.98 147.79 24.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.788 0.327 . . . . 0.0 111.014 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.47 169.42 1.86 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.172 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.423 ' HA ' HD13 ' A' ' 48' ' ' ILE . 5.4 p-10 -72.64 97.46 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.745 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.402 ' O ' HG21 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -104.3 14.3 30.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.932 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -44.91 -32.87 1.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 0.0 111.426 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -93.81 -22.71 18.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -88.7 -38.22 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.044 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.446 HG22 HD13 ' A' ' 46' ' ' ILE . 6.8 tp -67.94 -50.51 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.621 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.402 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 8.4 m -59.53 -32.73 70.58 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -73.58 -33.06 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.422 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.45 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 70.6 t80 -72.62 -45.1 60.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.323 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mp -58.8 -29.46 66.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.701 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.6 t -91.58 -30.63 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.57 -44.63 70.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.826 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.45 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 6.4 pt -89.14 -17.0 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.451 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.89 32.34 21.38 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.581 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 4.6 tp -76.74 -72.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 111.067 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.31 -168.49 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.473 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 149.24 52.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.637 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.443 ' HA ' HD13 ' A' ' 121' ' ' LEU . 1.9 t70 -58.23 -28.21 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.333 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 1.9 m-20 -76.65 -19.55 57.65 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.422 ' NE2' HG12 ' A' ' 44' ' ' ILE . 29.3 mt-30 -103.35 -12.67 17.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.061 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 118' ' ' ASP . 17.8 mt -50.63 92.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.004 0.43 . . . . 0.0 111.146 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -114.83 84.05 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.8 p -89.9 124.05 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 111.755 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.502 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 42.4 m-70 -131.83 84.48 2.17 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.817 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 126' ' ' PHE . . . -74.7 100.55 1.21 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.701 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.562 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 1.5 p90 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.146 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.811 0.339 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -121.99 164.85 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.51 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.426 HG13 ' HB3' ' A' ' 116' ' ' ALA . 32.9 mm -128.07 77.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.45 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.441 ' CB ' ' HB2' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -60.15 154.97 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.647 -178.494 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.503 HG12 HG22 ' A' ' 106' ' ' ILE . 1.2 mp -148.23 101.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.824 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 124' ' ' HIS . 2.1 mtt180 -121.41 138.23 54.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.156 0.503 . . . . 0.0 112.026 -178.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 58' ' ' THR . 89.7 mt -87.42 157.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.723 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -138.84 82.95 1.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.981 179.164 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.422 ' HG3' ' CG2' ' A' ' 56' ' ' THR . 2.6 tt0 -87.65 99.15 11.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.476 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -76.85 119.57 20.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.198 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 71.36 21.47 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.651 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.97 27.57 72.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.885 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' THR . 9.0 mtt180 -142.7 -63.32 0.42 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.701 0.251 . . . . 0.0 111.373 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -61.83 77.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -79.54 129.7 34.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.212 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -140.57 107.33 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -76.43 133.03 39.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.288 -179.718 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -121.79 130.84 53.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.867 0.365 . . . . 0.0 111.028 179.746 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.465 ' CG1' HG12 ' A' ' 63' ' ' ILE . 54.6 t -97.34 128.29 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.442 ' OE1' ' CG ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -113.43 81.66 1.55 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.302 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 167.86 -33.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.742 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.479 HG21 ' CD2' ' A' ' 67' ' ' TYR . 34.0 mm -54.18 140.75 10.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.072 0.463 . . . . 0.0 111.319 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -86.59 139.42 30.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.412 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -61.0 -21.02 63.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.07 -29.2 70.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.821 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.499 ' CE2' ' HG ' ' A' ' 115' ' ' LEU . 3.8 m-30 -51.56 142.1 14.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.35 101.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.31 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -41.99 -43.41 3.15 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.52 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 3.6 ptpp? -69.73 -41.0 75.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.75 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -4.22 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.86 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -104.75 -71.18 0.75 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.422 -179.708 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.401 HG12 ' CD1' ' A' ' 96' ' ' ILE . 31.0 m -77.81 -41.97 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.51 0.195 . . . . 0.0 111.403 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -63.62 -47.06 82.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.26 94.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.831 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 5.1 t80 -45.3 -56.13 5.21 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.825 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 4.3 mtpm? -55.66 -22.76 24.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.192 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.01 -18.19 54.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.768 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -108.61 -42.75 4.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.49 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.495 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -115.43 -16.94 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.767 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 65.91 33.48 7.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.875 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.6 m -100.64 144.31 29.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.777 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.7 98.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.794 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.77 139.49 14.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 97' ' ' GLN . 80.3 p -139.59 148.4 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.5 95.0 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.745 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 pt -108.78 150.99 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.926 0.394 . . . . 0.0 111.668 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -98.74 75.04 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.925 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -52.06 139.02 34.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.545 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.21 -24.78 5.32 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.63 2.22 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 24.1 mt-10 -83.67 -26.84 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.442 ' CG ' ' OE1' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -112.08 -51.94 2.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.906 0.384 . . . . 0.0 110.797 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.65 96.97 1.86 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 65.55 92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -142.91 149.02 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.6 OUTLIER -92.42 117.67 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.322 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 85' ' ' THR . 1.8 tt0 -96.89 110.87 23.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.772 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 8.6 mt -104.93 156.85 17.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.928 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.69 142.09 27.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 111.652 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.65 177.23 50.13 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.624 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -77.97 75.63 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.356 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.428 ' O ' HG21 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -92.04 6.33 46.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.742 -179.358 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -44.57 -31.21 1.06 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.856 0.36 . . . . 0.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.45 -24.22 15.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.039 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -81.74 -41.41 21.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.541 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.503 HG22 HG12 ' A' ' 46' ' ' ILE . 6.0 tp -67.39 -48.31 78.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.45 ' N ' HG22 ' A' ' 106' ' ' ILE . 29.2 p -53.68 -33.47 55.49 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -53.32 31.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.723 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 63.6 t80 -55.81 -47.66 76.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.866 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.423 ' HB3' ' CB ' ' A' ' 116' ' ' ALA . 4.7 mp -55.0 -30.56 59.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 64.8 t -94.56 -25.66 4.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.073 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.53 -40.68 49.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.019 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.452 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 12.9 pt -90.12 -23.91 5.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.765 0.316 . . . . 0.0 111.3 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.76 29.85 7.51 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.858 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.499 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 2.5 tp -78.68 -73.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 0.0 110.746 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.426 ' HB3' HG13 ' A' ' 44' ' ' ILE . . . -84.17 -167.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.433 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.48 151.47 51.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.531 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.448 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 1.1 p-10 -61.42 -28.92 69.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.418 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -80.27 -15.85 56.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.875 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -111.62 0.66 16.45 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.196 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.448 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 13.9 mt -64.65 76.8 0.04 OUTLIER 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.808 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -93.39 79.26 4.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.752 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.4 p -87.69 121.02 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.616 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 47' ' ' ARG . 71.9 m-70 -130.63 137.83 49.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -104.47 126.84 8.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.084 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.185 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 121.061 0.458 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -60.63 165.17 4.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.019 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.41 ' O ' HD11 ' A' ' 46' ' ' ILE . 50.8 mm -116.51 103.51 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.102 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.448 ' CE1' ' NE2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -63.92 139.93 58.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.621 -178.634 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.51 HG12 HG22 ' A' ' 106' ' ' ILE . 1.6 mp -136.8 104.05 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.811 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -125.45 144.96 50.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.351 0.596 . . . . 0.0 112.433 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.468 HD12 HG22 ' A' ' 48' ' ' ILE . 8.0 mt -97.43 149.77 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.371 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 7.1 pt20 -140.15 88.77 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.093 0.473 . . . . 0.0 110.962 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.1 tt0 -92.4 95.47 9.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.543 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -55.57 -36.03 66.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -127.82 -152.22 0.51 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.025 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.98 36.23 3.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.457 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' THR . 11.5 ptp180 173.19 -27.27 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.432 0.158 . . . . 0.0 111.418 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -67.67 65.74 0.08 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.947 0.403 . . . . 0.0 110.786 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -84.94 151.74 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.157 -179.603 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 5.1 mt -151.0 72.66 1.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.985 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 90.9 m -51.67 141.7 16.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.344 . . . . 0.0 111.361 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -123.37 157.29 33.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 179.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG2' HG12 ' A' ' 106' ' ' ILE . 53.8 t -130.41 121.3 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.051 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.2 139.94 51.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.464 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.07 -30.24 6.91 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.135 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.486 HG21 ' CD2' ' A' ' 67' ' ' TYR . 9.2 mm -56.44 145.18 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.02 0.438 . . . . 0.0 111.085 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.414 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -82.48 133.33 35.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.478 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.06 -18.61 61.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.678 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.85 -25.57 66.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.711 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.486 ' CD2' HG21 ' A' ' 63' ' ' ILE . 5.7 m-30 -49.4 167.59 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.75 81.86 8.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.275 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.97 -42.96 0.43 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.523 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -63.07 -68.73 0.31 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.574 179.557 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -58.94 -18.85 37.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.431 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.406 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 2.2 tt -65.55 -68.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.423 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.412 ' CG1' ' CD1' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.11 -40.52 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.667 -179.585 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -50.49 -41.81 53.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.957 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.8 74.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.66 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.419 ' CE1' ' CE2' ' A' ' 80' ' ' PHE . 11.7 t80 -59.88 -47.61 85.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.579 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -64.82 -13.79 56.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.362 179.678 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -100.73 -20.03 15.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.677 0.275 . . . . 0.0 111.301 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 2.3 tttm -96.67 -34.35 11.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.615 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CE2' ' CE1' ' A' ' 76' ' ' PHE . 6.6 m-85 -119.63 -17.58 8.6 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 74.24 32.37 1.0 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.956 0.407 . . . . 0.0 110.781 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 23.0 m -108.54 -175.01 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.62 123.52 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 0.0 110.539 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -121.24 119.17 4.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.404 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 97' ' ' GLN . 70.2 p -117.7 162.28 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 111.112 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.407 ' HA ' HD12 ' A' ' 96' ' ' ILE . 8.5 p -113.36 69.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pp -76.21 153.68 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.544 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -106.96 71.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.291 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.2 t-80 -52.71 130.86 46.79 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.219 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -15.61 21.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.42 2.08 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.45 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.92 -24.6 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.434 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -119.32 -53.76 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.93 98.96 2.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.653 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 61.84 86.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.0 111.189 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.78 146.17 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.2 mm -84.87 121.84 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.893 0.378 . . . . 0.0 110.231 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.413 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER -99.72 112.29 24.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.716 -178.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 2.8 mt -99.95 157.77 16.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.046 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -94.84 133.16 38.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.87 165.01 40.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.411 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.446 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 30.5 p-10 -65.43 80.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.783 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.441 ' O ' HG21 ' A' ' 106' ' ' ILE . 10.4 mm-40 -87.05 -0.05 56.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.732 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -30.25 0.38 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.762 0.315 . . . . 0.0 111.519 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.68 -23.76 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.144 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.66 -41.94 13.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.385 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.51 HG22 HG12 ' A' ' 46' ' ' ILE . 7.9 tp -65.78 -51.06 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.254 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.413 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 26.5 p -55.94 -36.73 68.07 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -32.94 67.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.55 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.454 ' CE1' ' CG2' ' A' ' 113' ' ' ILE . 78.7 t80 -73.14 -46.4 51.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.448 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 4.1 mp -56.63 -30.21 63.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.76 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 57.5 t -91.6 -30.47 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.27 -42.11 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.454 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 8.8 pt -88.95 -30.03 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.342 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.17 31.81 5.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.656 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.471 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 5.7 tp -77.42 -70.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.732 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' A' ' 110' ' ' LEU . . . -92.13 -171.43 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.425 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.02 149.59 33.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.447 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.419 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.0 m-20 -58.41 -30.62 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 110.598 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.1 -27.52 39.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.271 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.405 ' HB3' HG12 ' A' ' 44' ' ' ILE . 18.3 mt-30 -84.6 -3.84 58.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.256 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 51.7 mt -57.68 88.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.816 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -101.67 69.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.044 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.442 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 9.5 p -78.35 114.46 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 90.7 m-70 -111.84 -34.78 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.363 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.01 -113.61 4.9 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.119 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.946 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.858 0.361 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -65.11 161.75 18.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.192 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.444 HG23 ' CD1' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -112.52 104.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.02 179.503 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -68.42 147.6 51.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.949 -179.206 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.541 HG12 HG22 ' A' ' 106' ' ' ILE . 1.6 mp -146.74 106.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.027 179.016 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -138.56 125.57 21.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 49' ' ' GLN . 34.7 mt -63.51 158.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.632 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.489 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.6 pt20 -152.08 76.61 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.151 0.5 . . . . 0.0 110.403 178.314 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.1 tt0 -76.24 98.12 4.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.791 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -56.06 -39.08 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -125.15 -152.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.082 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.55 38.6 3.19 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.548 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 170.87 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.55 0.175 . . . . 0.0 111.412 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -68.29 65.15 0.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.981 0.42 . . . . 0.0 110.76 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -80.6 132.01 35.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.052 -179.594 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 10.3 mt -130.08 75.62 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.394 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.6 m -58.48 113.65 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.666 0.27 . . . . 0.0 110.849 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -96.9 170.66 9.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.955 0.407 . . . . 0.0 111.467 -179.803 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.413 ' CG2' HG12 ' A' ' 106' ' ' ILE . 70.5 t -137.01 113.93 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.059 179.633 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.425 ' OE1' ' CG ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -101.19 74.75 1.59 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.721 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.25 -54.85 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.62 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.495 HG21 ' CD2' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -54.7 149.29 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.981 0.419 . . . . 0.0 110.772 179.904 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.435 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -102.36 162.8 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.381 -179.599 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.9 -11.39 60.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.011 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -95.14 27.57 3.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.811 0.338 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.495 ' CD2' HG21 ' A' ' 63' ' ' ILE . 4.8 m-30 -95.34 37.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.669 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 2.7 t0 81.47 -16.39 0.64 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.666 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 tttt 64.83 -74.06 0.05 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.699 0.285 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -60.6 -68.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.704 179.785 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -48.66 -24.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.438 ' O ' ' CE2' ' A' ' 109' ' ' PHE . 0.3 OUTLIER -68.88 -77.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.424 -179.802 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.8 p -86.31 -40.52 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.066 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -52.25 -42.25 63.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 111.088 -179.856 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.57 71.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.512 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 6.8 t80 -53.94 -46.51 71.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.463 179.376 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 2.4 mttt -66.35 -15.01 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.128 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -97.6 -20.75 17.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.248 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 3.5 tttm -96.15 -48.63 5.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.581 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.512 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 4.1 m-85 -103.34 -20.34 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.317 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 75.94 34.19 0.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.018 0.437 . . . . 0.0 110.713 -179.315 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 30.6 m -116.52 166.06 12.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.653 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -85.74 141.81 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.681 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -150.99 152.49 24.29 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.748 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.2 p -147.24 162.61 38.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 0.0 110.943 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.2 p -115.4 69.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pp -79.14 157.49 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.602 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -109.54 69.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.381 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.459 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.1 t-80 -49.51 128.7 18.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.273 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.59 -16.76 23.89 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.47 2.113 . . . . 0.0 112.165 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.87 -26.56 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.425 ' CG ' ' OE1' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -113.71 -52.93 2.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.39 95.2 2.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.781 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 58.75 92.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 0.0 111.199 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.5 m -142.14 141.38 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.3 mm -79.68 127.65 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -104.84 108.87 20.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.445 -179.153 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 15.0 mt -97.59 156.89 16.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.116 179.098 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -100.75 124.63 46.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.416 ' CA ' ' HB ' ' A' ' 56' ' ' THR . . . 97.23 167.76 32.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.357 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.406 ' CB ' HD12 ' A' ' 48' ' ' ILE . 8.3 p-10 -67.99 73.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.546 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.465 ' O ' HG21 ' A' ' 106' ' ' ILE . 13.9 mm-40 -86.51 2.9 46.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.735 -179.404 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -43.4 -29.69 0.46 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.703 0.287 . . . . 0.0 111.481 -179.774 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -102.65 -21.61 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.193 179.81 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -86.65 -38.06 17.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.477 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.541 HG22 HG12 ' A' ' 46' ' ' ILE . 5.5 tp -69.05 -49.17 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.283 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.464 ' N ' HG22 ' A' ' 106' ' ' ILE . 25.9 p -53.03 -34.57 57.02 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 178.514 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -65.59 -45.34 83.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.88 178.664 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.481 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 35.7 t80 -55.9 -54.0 50.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.191 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.7 mp -54.28 -29.25 46.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.97 -23.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.257 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 108' ' ' GLN . 4.8 mm-40 -85.24 -46.9 10.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.481 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 2.4 pt -90.65 16.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.878 -179.21 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 50.88 49.28 42.39 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.562 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.462 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 8.0 tp -94.93 -68.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.913 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.56 178.66 4.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.751 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.61 155.49 18.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.502 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.422 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 4.8 m-20 -61.71 -28.15 69.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.28 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.23 -21.29 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.24 179.036 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.425 ' HB3' HD11 ' A' ' 44' ' ' ILE . 13.1 mt-30 -91.25 -4.44 55.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.108 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 31.2 mt -62.34 79.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.031 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -94.36 73.48 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.32 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.448 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.0 p -89.8 120.37 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.709 -179.358 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.411 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 34.0 m-70 -111.71 -34.33 6.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.465 179.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 46.03 61.4 3.97 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.305 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.441 ' CD2' HG23 ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.094 179.472 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.897 0.379 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.1 m-30 -67.12 172.71 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.432 HG12 ' HB3' ' A' ' 120' ' ' GLN . 24.0 mm -109.9 98.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.066 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.541 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -72.68 119.74 17.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.284 -178.79 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 40.5 mm -80.55 -96.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.649 178.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 5.1 tpp180 89.39 131.75 0.03 OUTLIER 'General case' 0 C--N 1.346 0.439 0 CA-C-O 121.149 0.499 . . . . 0.0 112.009 179.118 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.541 ' HB ' ' HA2' ' A' ' 125' ' ' GLY . 0.3 OUTLIER -111.26 171.75 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.392 179.545 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.466 ' N ' HG22 ' A' ' 48' ' ' ILE . 2.4 pt20 -162.13 99.77 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 178.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 18.0 tt0 -106.64 116.1 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.501 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.81 142.99 32.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.389 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.6 t30 61.86 20.47 11.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.887 -179.585 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.57 43.21 99.59 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.81 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -173.73 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 111.57 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -70.09 65.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 111.284 -179.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -75.54 143.05 42.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 179.804 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 mt -149.76 101.73 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.706 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.3 m -82.28 116.08 21.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.574 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -91.53 172.18 8.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 179.634 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG2' HG12 ' A' ' 106' ' ' ILE . 86.1 t -140.14 119.48 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.404 ' HA ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -116.56 153.29 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.723 179.761 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.53 -25.7 26.87 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.215 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.496 HG21 ' CD2' ' A' ' 67' ' ' TYR . 3.0 mm -72.88 146.43 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 111.152 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.455 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -83.53 140.31 32.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -66.52 -12.78 59.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -96.08 30.25 2.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.473 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.496 ' CD2' HG21 ' A' ' 63' ' ' ILE . 4.2 m-30 -87.23 34.58 0.69 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.646 0.26 . . . . 0.0 111.465 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' LYS . 11.8 t0 77.91 -11.79 1.16 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.08 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.746 0.308 . . . . 0.0 111.223 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 12.8 mmtp -52.07 -66.03 0.46 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.121 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -46.49 -25.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.577 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.68 -71.21 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.549 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.6 m -90.94 -41.29 13.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.598 -179.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 19.6 tptt -50.14 -40.69 47.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 110.564 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.26 -31.68 64.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.671 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CG ' HD23 ' A' ' 98' ' ' LEU . 15.4 t80 -57.02 -41.35 78.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.619 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 13.4 mtmt -69.8 -14.09 62.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.019 179.587 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -92.03 -19.24 22.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.804 179.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -99.09 -45.54 5.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.497 -179.604 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.422 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -119.72 -10.53 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.219 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 64.18 45.23 4.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.008 0.432 . . . . 0.0 110.817 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -113.28 138.14 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.78 104.31 0.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.01 112.55 4.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.223 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.4 p -111.84 150.09 30.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.1 p -103.67 65.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.9 pt -68.69 157.24 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 111.486 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -112.61 73.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.21 179.364 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.43 ' CE1' ' HG3' ' A' ' 91' ' ' GLU . 2.5 t-80 -55.73 142.26 63.37 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.404 -179.369 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.415 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 88.7 Cg_endo -81.49 -24.45 4.35 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.689 2.259 . . . . 0.0 112.577 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.43 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 11.5 mt-10 -82.95 -21.19 34.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.073 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -119.0 -50.41 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.95 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.0 97.16 1.69 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.636 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.79 87.72 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.404 HG13 ' HA ' ' A' ' 61' ' ' GLN . 17.1 m -141.78 137.94 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.728 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.574 ' O ' ' HA ' ' A' ' 59' ' ' THR . 6.9 mm -71.53 149.87 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.48 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.76 86.86 2.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.827 0.346 . . . . 0.0 111.235 -179.419 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.42 HD23 ' CG ' ' A' ' 76' ' ' PHE . 7.1 mt -70.55 157.53 37.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.414 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.68 144.89 25.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.664 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.54 176.12 38.83 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.883 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.503 ' HA ' HD12 ' A' ' 48' ' ' ILE . 25.7 p-10 -79.64 92.82 5.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.049 0.452 . . . . 0.0 110.761 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.21 10.23 33.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -27.2 2.14 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.76 0.314 . . . . 0.0 111.197 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.58 -25.13 14.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.165 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -84.0 -39.82 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.474 HG12 ' CG2' ' A' ' 60' ' ' VAL . 7.7 tp -62.17 -51.4 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.108 -179.703 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 1.3 m -57.68 -33.31 68.22 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.302 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -73.08 -32.42 65.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.576 178.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.465 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 79.5 t80 -74.2 -47.76 33.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.602 179.534 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mp -56.63 -29.79 62.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.799 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.08 -29.36 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.58 -46.26 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.792 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.465 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 10.1 pt -85.2 -19.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.394 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.44 31.52 16.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.628 -179.104 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.491 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 5.8 tp -76.41 -69.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.928 -179.72 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.91 -169.52 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 144.7 43.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.474 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -53.02 -30.49 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.937 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -79.73 -28.44 40.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.332 179.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.477 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 33.8 mt-30 -80.41 -11.09 59.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.348 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 65.2 mt -50.62 89.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 111.213 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -110.74 81.95 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.411 179.786 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.9 p -91.7 122.63 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.797 -179.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.541 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 19.6 m-70 -132.4 37.74 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.137 179.343 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.541 ' HA2' ' HB ' ' A' ' 48' ' ' ILE . . . -53.74 91.51 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.898 -0.667 . . . . 0.0 113.059 -179.477 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.485 ' HB2' HG23 ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.035 179.609 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.125 0.488 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -60.73 167.09 2.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.957 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.2 mm -117.05 100.13 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.388 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.508 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -74.73 132.05 41.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.109 -178.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.504 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 27.9 mm -93.41 -99.72 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.15 178.746 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 91.28 130.14 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.336 0.588 . . . . 0.0 112.22 178.703 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -105.79 171.94 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.865 179.097 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.491 ' N ' HG22 ' A' ' 48' ' ' ILE . 2.4 pt20 -161.32 99.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.137 0.494 . . . . 0.0 111.098 178.668 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.526 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 11.6 tt0 -107.35 94.83 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.685 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -53.64 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -81.83 -150.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.637 179.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.78 35.29 4.13 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.302 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 56' ' ' THR . 8.2 ptm180 178.86 -27.48 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.42 67.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.805 0.336 . . . . 0.0 111.288 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -85.4 163.1 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.933 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.7 mt -162.01 93.92 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.5 m -72.53 117.77 14.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.069 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -99.48 162.92 12.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.962 0.41 . . . . 0.0 111.203 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.41 ' CG2' HG12 ' A' ' 106' ' ' ILE . 54.7 t -133.04 114.93 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.061 179.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.417 ' OE1' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -114.92 140.27 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.449 179.744 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.44 -29.89 7.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.898 -179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.491 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 2.6 mm -64.89 146.96 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 110.621 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.456 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -67.58 162.04 24.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.253 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.59 20.23 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.81 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -142.31 37.72 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.814 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.491 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 4.5 m-30 -86.92 35.75 0.7 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t70 76.24 -5.68 2.14 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 tttp 58.43 -80.52 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.724 0.297 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ASP . 24.9 mttm -50.15 -60.94 2.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.957 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -47.67 -24.81 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.434 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.08 -69.73 0.33 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.525 -179.771 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.13 -41.52 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.404 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 18.2 tttp -48.03 -40.96 24.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.024 0.44 . . . . 0.0 110.65 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -33.86 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.622 179.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.458 ' CE1' HD22 ' A' ' 98' ' ' LEU . 9.4 t80 -60.86 -56.51 20.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 34.0 mtmt -57.03 -20.51 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.299 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -93.97 -21.85 18.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.221 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -96.42 -31.61 12.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.243 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 17.7 m-85 -120.27 -15.46 8.63 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.179 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 73.36 29.58 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 0.0 110.716 -179.582 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.0 m -102.78 -162.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.6 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -121.03 119.79 33.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 110.334 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.46 114.43 3.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.2 p -114.96 158.57 21.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 0.0 111.18 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 11.6 p -111.76 105.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -117.46 154.27 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.389 -179.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.7 74.77 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.012 0.434 . . . . 0.0 110.45 179.351 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.2 t-80 -55.76 138.56 70.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.359 -179.752 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.69 -19.6 9.81 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.715 2.276 . . . . 0.0 112.285 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.439 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -81.94 -25.02 35.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.986 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.6 OUTLIER -118.86 -52.01 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.59 90.02 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.561 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 71.92 91.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 111.008 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.7 m -143.59 148.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.465 HG21 HD11 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -83.93 126.17 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.369 179.807 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.67 109.39 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.907 -178.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.458 HD22 ' CE1' ' A' ' 76' ' ' PHE . 2.7 mp -91.93 164.43 13.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.594 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.3 140.36 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 111.19 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.16 -169.9 54.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.407 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.45 ' HA ' HD12 ' A' ' 48' ' ' ILE . 6.6 p-10 -90.22 87.03 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.081 0.467 . . . . 0.0 110.584 179.753 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.428 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.4 OUTLIER -105.22 4.02 30.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.138 -179.819 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.02 -28.02 2.57 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.13 -27.0 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.972 179.749 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -86.44 -32.12 21.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.115 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.41 HG12 ' CG2' ' A' ' 60' ' ' VAL . 9.2 tp -65.44 -50.28 73.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.041 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.3 p -57.12 -36.3 70.51 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.252 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.9 -31.75 64.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.4 178.514 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.466 ' CE1' ' CG2' ' A' ' 113' ' ' ILE . 67.7 t80 -73.5 -44.15 58.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.352 179.312 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.98 -29.57 67.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.781 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.9 t -92.38 -29.35 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.46 -41.48 72.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.466 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 8.9 pt -89.85 -25.56 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.179 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.44 28.82 8.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.798 -179.274 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 4.3 tp -76.79 -71.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.802 -179.839 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.35 -178.35 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 179.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.19 153.77 27.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.673 179.621 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 6.7 p-10 -59.64 -29.06 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -23.72 39.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.281 179.25 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 122' ' ' LYS . 13.1 mt-30 -91.22 -3.52 56.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.879 179.45 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 29.4 mt -57.32 86.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.985 0.421 . . . . 0.0 111.029 -179.693 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 120' ' ' GLN . 14.0 mmtt -109.21 80.2 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.373 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.41 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.7 p -92.78 125.83 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.863 -179.245 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.508 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 12.9 m-70 -136.27 42.6 2.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.539 179.492 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.459 ' HA2' ' HB ' ' A' ' 48' ' ' ILE . . . -58.32 87.75 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.805 -179.544 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.471 ' HB2' HG23 ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.999 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.904 0.383 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.467 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.0 m-30 -61.5 175.74 0.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.435 HG12 ' HB3' ' A' ' 120' ' ' GLN . 29.7 mm -114.64 101.06 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.272 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.452 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -64.5 143.07 58.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.186 -179.003 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.54 HG12 HG22 ' A' ' 106' ' ' ILE . 1.2 mp -137.21 103.58 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.267 178.759 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.9 mmm-85 -123.32 138.31 54.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 0.0 111.847 -178.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.434 HD11 HG22 ' A' ' 48' ' ' ILE . 20.0 mt -92.84 154.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.855 179.379 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.422 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.3 pt20 -139.22 92.43 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.487 179.163 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.454 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 3.0 tt0 -92.96 116.63 29.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.561 -179.242 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.08 126.12 37.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.169 179.307 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.71 21.64 11.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.733 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.65 35.53 92.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.733 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' THR . 50.2 mtt-85 -153.57 -64.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.681 0.24 . . . . 0.0 111.392 179.89 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.06 81.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.591 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -83.91 140.68 31.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.398 -179.419 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.4 mp -145.74 116.29 7.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.198 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -92.47 128.66 38.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 111.347 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -109.69 149.66 29.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.06 179.715 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.507 ' CG2' HG12 ' A' ' 106' ' ' ILE . 71.4 t -123.8 123.82 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.65 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.452 ' HG3' ' HB3' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -114.74 139.83 49.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.527 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.03 -28.3 8.09 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.079 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.51 HG21 ' N ' ' A' ' 64' ' ' ALA . 4.6 mm -61.16 147.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.691 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.51 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -90.28 129.29 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.486 -179.352 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -57.93 -21.45 43.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.558 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -26.22 68.21 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.563 ' CE2' ' HG ' ' A' ' 115' ' ' LEU . 7.0 m-30 -48.45 172.43 0.01 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.811 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' LEU . 10.3 t0 -80.05 62.56 4.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.079 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -30.37 -55.58 0.19 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.22 -179.446 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -48.32 -48.14 36.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 68' ' ' ASP . 17.4 mttm -89.61 -14.96 33.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.529 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -58.44 -45.54 88.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.762 0.315 . . . . 0.0 111.053 -179.7 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.43 -30.89 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.153 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 71' ' ' LYS . 0.7 OUTLIER -60.22 -42.94 96.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.499 179.821 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.3 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.284 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 13.0 t80 -60.36 -43.71 96.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.379 179.35 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -65.64 -15.47 62.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.307 179.823 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -95.72 -18.93 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.358 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -103.97 -37.62 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.671 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 6.1 m-85 -114.45 -16.82 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.479 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 67.47 35.28 4.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.985 0.421 . . . . 0.0 110.636 -179.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.1 m -113.05 157.24 21.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.717 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.28 113.73 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.52 113.34 3.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.296 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.8 p -118.71 155.98 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 111.273 -179.644 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.9 p -103.39 121.47 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 pt -128.7 147.24 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.826 0.346 . . . . 0.0 111.342 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -101.9 74.18 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.051 0.453 . . . . 0.0 110.259 179.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.425 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.6 t-80 -53.43 142.91 38.45 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.522 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 86.4 Cg_endo -81.61 -27.63 2.58 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.682 2.255 . . . . 0.0 112.418 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.34 -20.36 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.255 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.413 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 1.5 m-85 -119.44 -49.8 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.165 -179.629 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.41 101.8 1.3 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.649 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 64.94 94.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 111.228 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.8 m -144.7 151.31 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.5 mm -96.46 124.97 49.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.252 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.414 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 1.2 tt0 -100.49 110.1 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.81 -179.086 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.424 HD23 ' CD2' ' A' ' 76' ' ' PHE . 3.6 mt -93.59 159.67 15.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.707 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.74 143.16 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.941 0.4 . . . . 0.0 111.266 -179.604 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.94 169.91 25.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.428 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -68.81 92.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.618 179.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.427 ' O ' HG21 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -106.82 6.78 29.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.581 -179.637 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -44.83 -29.56 0.82 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.709 0.29 . . . . 0.0 111.592 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -101.52 -20.8 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.268 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -87.93 -38.23 15.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.441 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.54 HG22 HG12 ' A' ' 46' ' ' ILE . 5.4 tp -66.73 -49.92 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.374 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.45 ' N ' HG22 ' A' ' 106' ' ' ILE . 7.2 p -53.12 -34.42 56.63 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.592 0.711 . . . . 0.0 109.173 178.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -66.42 -51.5 56.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.978 178.786 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 67.3 t80 -52.57 -54.38 33.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.267 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.421 ' HB3' ' CB ' ' A' ' 116' ' ' ALA . 6.0 mp -54.44 -28.77 46.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.021 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.0 t -93.32 -24.67 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.201 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 108' ' ' GLN . 3.5 mm-40 -79.02 -45.77 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.435 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 12.5 pt -83.79 -15.24 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.441 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.69 32.31 18.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.56 -179.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 6.1 tp -80.84 -74.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.659 0.266 . . . . 0.0 111.143 -179.509 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.421 ' CB ' ' HB3' ' A' ' 110' ' ' LEU . . . -83.76 -163.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.322 179.545 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.76 146.9 46.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.324 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -57.91 -32.02 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 0.0 110.526 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.0 -27.26 43.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.154 179.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 32.3 mt-30 -81.48 -11.29 59.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.174 179.586 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 64.1 mt -52.17 91.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.042 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.07 75.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.962 -179.822 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.466 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 11.5 p -86.7 118.84 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.427 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 69.4 m-70 -114.94 -31.16 6.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.366 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 62.57 -115.41 7.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.277 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.454 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.916 0.389 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.472 ' CD2' ' HD3' ' A' ' 122' ' ' LYS . 13.9 m-30 -82.59 173.96 11.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.602 -179.278 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.41 HG12 ' HB3' ' A' ' 120' ' ' GLN . 50.6 mm -131.49 82.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.322 179.406 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.553 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -52.79 139.17 27.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.524 -178.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 24.4 mm -99.68 -99.73 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.929 178.544 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 1.3 tmt_? 86.58 123.38 0.03 OUTLIER 'General case' 0 C--N 1.345 0.401 0 CA-C-O 121.182 0.515 . . . . 0.0 112.285 178.647 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 49' ' ' GLN . 8.4 mt -105.26 155.54 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.281 179.087 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.427 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.2 pt20 -138.26 99.14 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.918 0.39 . . . . 0.0 110.684 179.497 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.453 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 2.1 tt0 -97.52 113.2 24.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.221 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.23 121.36 36.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.38 179.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.5 t30 73.46 22.69 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.54 44.97 97.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.545 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -171.74 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -72.48 63.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.683 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.453 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -72.7 134.27 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 2.4 mt -144.17 99.39 3.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.5 m -72.65 135.44 45.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -117.22 153.59 32.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 111.315 179.846 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 106' ' ' ILE . 61.8 t -123.4 121.51 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.095 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.428 ' OE1' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -118.42 140.06 50.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.493 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.47 -24.83 13.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.274 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.513 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -69.08 146.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.467 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -80.28 141.6 35.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -68.97 -10.64 58.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.19 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -94.31 26.27 3.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.488 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 5.5 m-30 -87.97 31.78 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.562 0.22 . . . . 0.0 111.275 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t70 78.19 -11.5 1.2 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.733 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.9 -79.73 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.661 0.267 . . . . 0.0 111.259 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -52.37 -66.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.123 -179.823 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -47.45 -26.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.434 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.49 -69.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.214 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.444 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 8.1 p -82.7 -38.36 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.645 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.01 -43.95 40.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.97 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.18 -31.92 72.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 179.513 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.414 ' CG ' HD23 ' A' ' 98' ' ' LEU . 5.9 t80 -60.64 -45.63 93.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.493 179.617 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -10.39 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -105.71 -20.45 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.679 0.276 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.475 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 tmtm? -95.54 -39.02 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.299 -179.771 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CZ ' ' CD ' ' A' ' 79' ' ' LYS . 11.1 m-85 -112.38 -21.41 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.445 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 75.8 33.3 0.62 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.892 0.377 . . . . 0.0 110.591 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.1 m -104.81 -167.3 1.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.75 119.22 29.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.654 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -125.94 139.96 11.81 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.658 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.3 p -123.3 177.54 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 111.26 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 86' ' ' VAL . 11.6 p -124.87 84.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.056 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.75 153.99 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.05 0.452 . . . . 0.0 111.533 -179.592 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -105.12 74.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.33 179.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.425 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.5 t-80 -56.3 143.05 66.43 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.381 -179.476 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 84.2 Cg_endo -82.16 -27.46 2.37 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.639 2.226 . . . . 0.0 112.307 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -80.94 -21.53 40.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.224 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.428 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 1.3 m-85 -119.31 -47.64 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.12 -179.613 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.73 104.63 1.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.672 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 57.29 93.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -145.04 144.12 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -73.71 157.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.445 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.415 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -135.15 97.47 3.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.786 0.327 . . . . 0.0 111.473 -179.221 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.49 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 3.6 mt -85.93 156.38 20.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.328 179.135 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -91.77 143.78 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.178 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.68 176.73 45.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.23 84.06 5.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 110.592 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.401 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -96.03 12.37 30.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.161 -179.784 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -47.7 -28.58 2.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.45 -21.18 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -89.2 -37.3 15.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.149 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 60' ' ' VAL . 4.8 tp -63.86 -52.0 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.027 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.409 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 11.2 p -57.77 -32.5 67.56 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.097 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -70.35 -37.05 74.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.464 178.601 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.5 ' HA ' ' HB3' ' A' ' 112' ' ' GLU . 73.8 t80 -69.17 -47.51 64.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.236 179.092 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 115' ' ' LEU . 5.6 mp -52.61 -33.01 44.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.891 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.87 -37.47 8.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 109.785 179.247 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.5 ' HB3' ' HA ' ' A' ' 109' ' ' PHE . 1.2 tt0 -61.47 -26.48 67.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.011 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.491 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 7.0 pt -109.86 -27.61 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 111.533 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 101.3 23.19 9.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.985 -179.419 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.475 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 3.3 tp -73.73 -72.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.74 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.16 166.27 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 152.39 20.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.453 179.699 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.7 p-10 -57.33 -27.17 61.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.77 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 -26.16 41.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 10.4 mt-30 -85.39 -15.54 42.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.145 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 50.5 mt -49.86 110.14 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.633 -179.379 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.472 ' HD3' ' CD2' ' A' ' 43' ' ' TYR . 1.3 mmmm -132.83 80.41 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.742 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.452 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 10.2 p -87.38 121.55 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 -179.368 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.553 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 43.5 m-70 -123.46 75.01 1.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.123 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.76 120.64 23.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.247 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.295 -0.859 . . . . 0.0 111.372 -179.743 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 121.078 0.466 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HA ' ' HB3' ' A' ' 120' ' ' GLN . 18.6 m-30 -66.75 166.06 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.038 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 120' ' ' GLN . 49.3 mm -118.13 106.85 20.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.204 179.425 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.477 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -67.05 143.47 56.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.375 -178.819 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.54 HG12 HG22 ' A' ' 106' ' ' ILE . 1.6 mp -140.26 101.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.114 178.647 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -126.91 149.69 49.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.302 0.572 . . . . 0.0 112.259 -178.612 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 58' ' ' THR . 40.3 mt -101.87 153.43 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.448 179.223 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.468 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 4.4 pt20 -132.9 82.73 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.212 0.53 . . . . 0.0 110.416 178.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.412 ' OE1' ' CZ ' ' A' ' 126' ' ' PHE . 1.7 tt0 -96.52 125.85 41.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.733 -179.681 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' ARG . 31.9 mtp85 -91.58 121.42 33.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.067 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.2 t30 55.57 26.5 9.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.97 -4.96 84.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.387 -179.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ARG . 4.9 mtp180 -119.86 -171.13 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.709 0.29 . . . . 0.0 110.694 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.83 78.27 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.19 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.406 ' CG2' ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -90.48 131.69 36.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.514 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.468 ' HB2' ' CG ' ' A' ' 49' ' ' GLN . 4.9 mt -137.22 94.29 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.027 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 53.3 m -68.61 142.37 55.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.397 -179.741 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.87 143.88 50.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.742 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.501 ' CG2' HG12 ' A' ' 106' ' ' ILE . 59.3 t -118.84 124.57 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.477 ' HG3' ' HB3' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -118.9 138.54 52.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.453 179.69 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.63 -26.82 8.74 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.104 -179.79 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.475 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 11.3 mm -63.19 144.08 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.437 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -85.3 131.7 34.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.242 -179.705 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -60.94 -19.07 60.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.73 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.18 -21.26 65.8 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.481 ' CD2' ' CD1' ' A' ' 115' ' ' LEU . 6.8 m-30 -48.9 172.78 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.744 0.306 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -52.56 -26.69 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.69 -76.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.756 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -61.2 2.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.322 179.42 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -22.4 63.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.681 179.338 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.415 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 1.8 tt -56.12 -64.24 0.92 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.75 -27.62 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.27 179.829 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -43.18 85.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.921 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.96 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.43 ' CE1' HD11 ' A' ' 106' ' ' ILE . 6.4 t80 -59.12 -54.94 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 179.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -18.06 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.408 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -96.31 -20.31 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.606 0.241 . . . . 0.0 111.418 -179.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -101.93 -31.0 10.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.606 -179.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 29.6 m-85 -115.75 -17.0 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.492 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 72.09 28.01 2.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 22.9 m -104.29 -166.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.67 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.08 118.14 30.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.397 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.11 118.48 4.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.389 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.5 p -125.3 143.6 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 111.194 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.41 ' CA ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -97.92 101.94 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 179.655 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.65 154.92 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.941 0.4 . . . . 0.0 111.296 -179.818 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -97.44 75.01 2.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.346 179.407 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.401 ' HB2' HG23 ' A' ' 95' ' ' VAL . 2.3 t-80 -49.64 140.37 14.56 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.38 -179.672 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.43 -21.02 10.57 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.532 2.155 . . . . 0.0 112.24 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.3 OUTLIER -80.89 -23.57 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.3 m-85 -119.06 -49.1 2.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.17 -179.47 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.16 -15.74 15.6 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.946 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 177.15 111.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.68 0.276 . . . . 0.0 110.581 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.401 HG23 ' HB2' ' A' ' 89' ' ' HIS . 29.9 m -155.54 155.99 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 0.0 111.359 -179.778 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.41 HD12 ' CA ' ' A' ' 86' ' ' VAL . 0.5 OUTLIER -90.98 122.07 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.063 179.402 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -96.66 116.53 29.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.718 -179.047 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 1.2 mt -103.43 158.52 16.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.808 178.801 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.88 130.83 44.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.893 0.377 . . . . 0.0 110.786 179.735 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.45 162.11 36.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.176 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.413 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 16.7 p30 -67.46 77.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.461 ' O ' HG21 ' A' ' 106' ' ' ILE . 10.8 mm-40 -84.7 1.55 45.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.466 -179.639 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -29.23 0.27 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.775 0.322 . . . . 0.0 111.635 -179.828 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -23.08 13.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.222 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -89.92 -37.82 14.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.433 -179.56 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.54 HG22 HG12 ' A' ' 46' ' ' ILE . 6.6 tp -63.56 -49.8 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.68 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.411 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 5.5 p -55.32 -33.36 63.25 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.101 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -68.9 -48.08 64.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.714 178.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.456 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 74.7 t80 -59.76 -50.49 73.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.6 mp -53.97 -30.32 46.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 86.1 t -93.27 -27.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.163 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.22 -41.36 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.456 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 11.2 pt -88.84 -26.33 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.42 -179.874 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.01 30.9 6.48 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 -179.456 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 3.5 tp -80.32 -70.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 110.633 -179.822 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.33 -167.59 1.84 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.513 179.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 155.72 45.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.627 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.411 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 2.7 p30 -62.44 -28.26 69.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.983 0.42 . . . . 0.0 110.362 179.806 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -79.48 -21.81 44.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.117 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.409 ' HB3' ' HA ' ' A' ' 43' ' ' TYR . 9.7 mt-30 -97.83 -1.81 42.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.082 179.654 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 21.1 mt -59.22 87.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.791 0.329 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -104.28 73.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.757 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.1 p -78.33 122.03 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.313 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.458 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 90.2 m-70 -126.36 63.7 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -54.66 120.16 15.57 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.241 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.412 ' CZ ' ' OE1' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.209 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.937 0.399 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -71.72 175.57 5.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.187 -179.662 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.433 HG12 ' HB3' ' A' ' 120' ' ' GLN . 24.1 mm -110.4 103.53 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.727 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -74.51 131.76 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.825 -179.394 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 27.4 mm -92.19 -98.95 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.157 178.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.8 ttt180 85.14 126.59 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.286 0.565 . . . . 0.0 112.355 178.733 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.443 HG23 ' CD1' ' A' ' 126' ' ' PHE . 3.1 mt -103.38 157.83 5.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.218 179.036 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.7 pt20 -140.76 94.83 2.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.999 0.428 . . . . 0.0 111.076 179.478 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' HG3' ' CA ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -95.99 114.74 26.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.678 179.825 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -55.41 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.597 -179.401 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.72 22.68 9.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.709 0.29 . . . . 0.0 110.985 -179.754 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.1 14.35 60.69 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.299 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -139.82 -45.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.695 0.284 . . . . 0.0 111.046 -179.901 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -74.75 66.34 1.47 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.033 0.444 . . . . 0.0 110.423 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.473 ' CA ' ' HG3' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -74.18 143.0 45.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.209 -179.469 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 2.4 mt -141.18 92.86 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.8 m -69.58 119.44 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.974 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -103.35 165.65 10.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.012 0.434 . . . . 0.0 111.162 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 106' ' ' ILE . 41.6 t -134.23 117.54 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.265 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.426 ' OE1' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -111.41 141.05 45.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.277 179.474 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.7 -24.03 18.25 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.282 -179.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.497 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 5.1 mm -73.64 145.6 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 111.191 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.437 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -82.49 138.84 34.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -66.55 -12.35 57.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.42 24.34 3.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.461 -179.85 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.501 ' CD2' ' CD1' ' A' ' 115' ' ' LEU . 4.9 m-30 -85.14 23.35 1.27 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.489 179.72 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 26.8 t0 80.91 -17.75 0.55 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 tttt 64.37 -73.93 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.676 0.274 . . . . 0.0 111.349 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -51.67 -47.06 63.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.26 -179.825 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -13.93 6.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.622 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -97.33 -58.46 2.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.581 0.229 . . . . 0.0 111.049 -179.814 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 84' ' ' GLY . 3.4 t -79.36 -50.92 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -52.49 -43.28 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.026 0.441 . . . . 0.0 110.076 179.666 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.32 -48.7 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.374 179.117 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.495 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 14.6 t80 -46.55 -46.93 19.68 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.978 179.493 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 3.1 mtpm? -62.81 -24.46 67.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -85.03 -18.21 35.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.27 -179.726 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -104.56 -35.97 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.057 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 6.3 m-85 -118.93 -10.68 9.83 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.46 32.36 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.655 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 18.6 m -107.82 157.71 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.593 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.06 122.5 29.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.629 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.414 ' O ' HG12 ' A' ' 73' ' ' VAL . . . -113.32 128.03 8.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.232 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.8 p -129.54 115.43 17.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.402 . . . . 0.0 111.487 -179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 10.1 p -75.04 111.75 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.853 179.614 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.39 159.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.986 0.422 . . . . 0.0 111.389 -179.781 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -108.95 71.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.401 179.445 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -54.71 135.36 64.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.238 -179.523 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.56 -17.83 14.11 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.57 2.18 . . . . 0.0 112.248 179.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.452 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -82.18 -24.2 35.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -123.5 -52.17 1.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.664 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.17 105.2 2.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.631 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 58.42 90.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.4 m -144.19 137.89 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.2 mm -71.92 157.55 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.966 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.41 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -133.66 95.46 3.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.808 0.337 . . . . 0.0 111.313 -179.402 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.426 HD12 ' CZ ' ' A' ' 76' ' ' PHE . 8.4 mt -85.53 156.3 20.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.313 179.252 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.46 142.18 27.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.126 -179.728 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.16 177.07 51.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.449 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -80.29 75.39 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.013 0.435 . . . . 0.0 110.757 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.419 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.2 OUTLIER -89.77 9.07 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.07 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.412 ' HG2' ' CG1' ' A' ' 123' ' ' VAL . 7.0 tmm_? -48.2 -28.84 3.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -21.37 15.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -87.59 -33.82 18.74 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.733 0.301 . . . . 0.0 111.245 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.471 HG12 ' CG2' ' A' ' 60' ' ' VAL . 7.7 tp -65.82 -50.3 71.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.349 -179.658 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 21.9 p -52.3 -34.81 48.54 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.465 0.65 . . . . 0.0 109.271 178.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -67.05 -50.68 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.809 178.697 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.565 ' HA ' ' HB2' ' A' ' 112' ' ' GLU . 57.2 t80 -58.02 -40.8 81.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 mp -59.48 -32.08 69.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.773 -179.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.8 t -95.99 -23.41 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.253 0.549 . . . . 0.0 110.316 179.19 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.565 ' HB2' ' HA ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -68.6 -44.14 74.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.929 179.692 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.436 HG23 HD11 ' A' ' 113' ' ' ILE . 4.5 pt -96.73 -26.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.52 -179.41 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.54 29.33 5.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.853 -179.444 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.501 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 2.0 tp -75.96 -72.86 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 -179.839 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.04 148.85 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 147.57 31.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.52 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.406 ' HA ' HD13 ' A' ' 121' ' ' LEU . 3.6 m-20 -51.29 -31.69 22.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.966 0.413 . . . . 0.0 110.689 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -78.47 -28.04 46.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.099 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 122' ' ' LYS . 29.5 mt-30 -80.61 -11.55 59.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.069 179.627 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 118' ' ' ASP . 65.6 mt -52.34 87.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.89 0.376 . . . . 0.0 111.257 -179.592 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 120' ' ' GLN . 11.0 mmtt -108.29 88.58 2.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.291 179.727 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.412 ' CG1' ' HG2' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -98.71 127.32 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.458 -179.327 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 11.7 m-70 -134.85 68.74 1.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.256 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -57.04 120.05 18.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.156 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.271 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.6 t0 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.899 0.381 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.433 ' CD2' ' HE3' ' A' ' 122' ' ' LYS . 14.7 m-85 -66.78 175.28 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.3 mm -112.33 95.03 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.254 179.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 138.6 54.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.898 -179.15 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.435 HD13 HG22 ' A' ' 106' ' ' ILE . 0.4 OUTLIER -142.48 106.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.525 179.324 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -127.55 150.12 49.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.164 0.506 . . . . 0.0 112.264 -178.636 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.473 HG22 HD11 ' A' ' 48' ' ' ILE . 50.5 mt -102.88 157.37 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.476 179.331 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -140.72 93.73 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.409 179.296 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.474 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 1.9 tt0 -92.34 111.54 23.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.234 -179.473 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -90.88 126.71 36.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.481 179.589 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 64.96 22.62 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.792 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.96 47.95 86.71 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.538 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -170.85 -44.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.283 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 65.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.001 0.429 . . . . 0.0 110.762 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.474 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -74.76 131.35 40.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.745 -179.958 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mt -140.14 98.79 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.805 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.9 m -71.69 112.5 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -100.43 150.09 22.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.054 179.741 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 HD11 ' A' ' 46' ' ' ILE . 55.2 t -122.17 126.03 73.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.29 179.741 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.31 144.81 48.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.332 179.741 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.76 -26.16 18.65 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.161 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.522 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 2.8 mm -67.25 146.0 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.033 0.444 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.468 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -79.54 137.98 37.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.093 179.836 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.98 -13.72 60.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.239 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -94.92 29.25 2.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.261 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 3.9 m-30 -88.28 24.56 1.85 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.415 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 15.4 t0 81.64 -18.49 0.48 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.31 -74.82 0.05 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.795 0.331 . . . . 0.0 111.361 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 45.1 mttp -51.54 -42.38 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.472 -179.539 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.97 -1.29 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.018 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -107.12 -70.03 0.81 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.654 0.264 . . . . 0.0 111.1 -179.654 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.432 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 4.1 p -78.13 -45.79 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.064 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -62.01 -44.43 96.74 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.94 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.23 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.062 178.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 16.6 t80 -48.18 -48.7 34.47 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.57 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -71.54 -4.62 27.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.743 -179.927 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.56 -21.51 13.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.725 179.754 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 5.6 tmtm? -88.24 -49.58 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.214 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CZ ' ' HD2' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -108.82 -16.34 14.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.626 -179.746 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 75.55 33.8 0.63 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.154 0.502 . . . . 0.0 110.324 -179.266 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 16.4 m -97.03 -174.57 3.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.425 ' HB2' ' CB ' ' A' ' 99' ' ' GLN . 11.5 m120 -105.87 122.93 47.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.332 179.89 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.38 157.83 19.62 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.852 -179.502 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.6 p -153.43 150.54 28.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.828 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.7 p -114.63 111.47 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.791 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.416 HG12 ' HB2' ' A' ' 97' ' ' GLN . 13.1 pt -123.84 163.72 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.436 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -112.92 76.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.927 178.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -52.53 133.28 44.9 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.48 -179.38 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.94 -14.6 17.0 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.546 2.164 . . . . 0.0 112.347 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -85.12 -24.09 28.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.446 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.3 m-85 -126.17 -54.57 1.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.933 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.74 -112.81 0.71 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.209 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.55 89.9 4.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.769 0.319 . . . . 0.0 110.686 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.3 m -124.44 141.79 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.49 -179.672 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -74.26 159.98 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.631 179.257 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.434 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -133.29 82.11 1.97 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.883 0.373 . . . . 0.0 111.437 -179.486 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.454 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -65.68 167.11 9.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.057 179.109 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.425 ' CB ' ' HB2' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -109.75 130.95 55.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.748 179.701 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.431 ' HA2' ' HB ' ' A' ' 56' ' ' THR . . . 88.16 178.63 47.22 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.971 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.2 p30 -80.24 73.75 7.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.959 0.409 . . . . 0.0 110.385 179.566 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.409 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -89.3 7.31 36.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.275 -179.558 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -28.37 1.92 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.027 0.441 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -92.64 -27.6 17.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.737 179.504 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -82.6 -39.11 22.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.435 HG22 HD13 ' A' ' 46' ' ' ILE . 8.9 tp -65.48 -49.74 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.4 ' N ' HG22 ' A' ' 106' ' ' ILE . 34.0 t -56.72 -35.22 68.29 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.033 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -33.07 64.09 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.45 178.561 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.438 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 67.6 t80 -72.2 -45.15 61.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.333 179.423 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.84 -29.48 66.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.753 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.3 t -92.44 -28.95 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.051 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.75 -43.82 68.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.825 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.438 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 6.0 pt -89.82 -21.87 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.335 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 90.01 34.31 8.35 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.548 -179.081 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.498 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 4.7 tp -76.97 -73.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.727 0.299 . . . . 0.0 111.141 -179.582 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.53 159.78 15.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.544 179.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -82.89 145.74 29.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.392 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.429 ' HA ' HD13 ' A' ' 121' ' ' LEU . 1.8 m-20 -53.17 -32.45 47.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.576 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -79.45 -28.47 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.047 179.139 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.408 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 33.2 mt-30 -80.11 -8.63 59.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.236 179.496 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 118' ' ' ASP . 84.5 mt -56.29 88.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.997 0.427 . . . . 0.0 111.077 -179.641 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.433 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 2.2 mmtt -104.48 78.98 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.769 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.84 112.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -114.33 70.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.261 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.68 120.51 14.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.234 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.47 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.971 0.415 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.457 ' CD2' ' HE3' ' A' ' 122' ' ' LYS . 20.4 m-30 -62.6 166.66 5.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.436 HD11 ' HB3' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -107.01 79.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 109.448 179.164 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.497 ' NE2' ' NE2' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -62.31 113.17 2.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.969 -178.748 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' A' ' 123' ' ' VAL . 16.8 mm -74.7 -93.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.485 178.789 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 79.71 121.65 0.05 OUTLIER 'General case' 0 C--N 1.342 0.27 0 CA-C-O 121.101 0.476 . . . . 0.0 112.0 178.776 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.445 HD11 HG22 ' A' ' 48' ' ' ILE . 14.1 mt -97.25 156.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.406 179.271 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.441 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.6 pt20 -141.05 98.53 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 179.196 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.455 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 2.9 tt0 -95.7 125.18 40.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.495 -179.313 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.52 130.04 54.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.365 179.465 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.1 t30 66.0 20.92 11.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.904 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.56 45.75 93.97 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.858 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.0 -37.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.68 0.276 . . . . 0.0 111.533 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -74.83 66.45 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 110.745 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.451 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -76.14 135.84 39.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.99 -179.864 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 3.9 mt -141.09 100.77 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.4 ' CG2' ' CG2' ' A' ' 46' ' ' ILE . 84.3 m -75.42 115.53 15.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -99.42 160.99 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.309 -179.804 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.0 t -127.31 109.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.607 179.398 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.05 55.0 3.34 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.834 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 63' ' ' ILE . . . -166.39 -144.97 4.28 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.607 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.515 HG21 ' N ' ' A' ' 64' ' ' ALA . 0.8 OUTLIER 58.79 146.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.118 0.485 . . . . 0.0 110.867 179.604 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.515 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -104.64 155.89 18.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.301 -179.546 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.76 -18.96 61.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.237 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.47 35.46 1.34 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.988 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.536 ' CE2' ' HG ' ' A' ' 115' ' ' LEU . 3.7 m-30 -98.07 29.47 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.827 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' LYS . 2.5 t0 78.8 -10.5 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.003 179.881 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 60.15 -79.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.698 0.285 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' ASP . 6.0 mtpt -53.54 -64.74 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -48.28 -24.63 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.458 ' O ' ' CE2' ' A' ' 109' ' ' PHE . 0.6 OUTLIER -68.22 -79.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.084 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 3.6 p -83.86 -43.68 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.698 0.285 . . . . 0.0 111.715 -179.36 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 3.1 tmtm? -50.73 -42.18 57.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.58 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.309 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 8.5 t80 -53.47 -52.22 60.19 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.064 0.459 . . . . 0.0 110.601 179.757 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -63.02 -14.72 51.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.481 179.817 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -20.28 16.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.714 0.292 . . . . 0.0 111.074 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 17.7 tttp -97.2 -36.92 10.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.542 -179.53 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.51 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 17.4 m-85 -112.9 -18.83 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -179.523 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 75.61 28.56 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 -179.243 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 77' ' ' LYS . 23.0 m -100.45 -178.79 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.765 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.407 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -106.45 103.88 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 110.548 179.793 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.84 136.85 13.6 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.558 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.8 p -141.89 123.44 15.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.892 0.377 . . . . 0.0 111.463 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.2 p -83.93 111.74 20.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.708 179.481 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.56 153.45 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 111.56 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -98.08 69.91 2.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.322 179.4 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -49.37 133.71 17.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.388 -179.608 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.35 -18.03 16.24 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.474 2.116 . . . . 0.0 112.368 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -85.59 -26.39 26.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.981 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.9 OUTLIER -115.16 -53.63 2.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.945 -179.895 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.76 97.72 2.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.675 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 61.71 84.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.64 142.48 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -80.56 127.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.631 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -104.83 110.54 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.973 0.416 . . . . 0.0 111.867 -178.91 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.495 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 1.3 mp -95.15 165.86 12.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.629 178.7 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.407 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 6.4 mm-40 -105.92 139.2 40.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.83 -179.49 51.15 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.156 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.438 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 9.1 p-10 -78.97 84.67 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.413 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -103.37 9.88 37.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.343 -179.578 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -49.43 -28.76 5.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 0.0 111.061 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -96.42 -22.0 17.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -86.2 -36.98 19.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.244 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.0 tp -66.56 -47.38 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.945 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 26.7 p -55.21 -32.52 62.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.307 0.575 . . . . 0.0 109.539 178.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -69.54 -47.0 65.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.985 178.9 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 64.8 t80 -58.39 -56.83 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.085 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 mp -53.85 -27.7 31.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.7 t -92.85 -25.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.037 179.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 108' ' ' GLN . 3.8 mm-40 -79.09 -47.59 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.894 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.457 ' CG1' ' HB2' ' A' ' 115' ' ' LEU . 12.9 pt -84.27 -0.16 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.44 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.96 30.58 67.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.686 -179.168 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.536 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 5.9 tp -74.1 -70.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 0.0 111.213 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.84 -170.1 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 154.6 43.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.754 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.516 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.5 p30 -56.64 -25.59 53.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 4.6 m-20 -77.0 -23.17 52.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.651 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.436 ' HB3' HD11 ' A' ' 44' ' ' ILE . 9.0 mt-30 -106.62 12.49 29.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.141 179.73 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.516 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 17.1 mt -81.31 57.66 3.3 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.228 0.537 . . . . 0.0 110.738 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.457 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -50.75 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.481 -179.293 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.545 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 45.64 105.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 CA-C-O 121.345 0.593 . . . . 0.0 112.402 179.454 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.497 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 9.9 m-70 -118.91 -66.35 1.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 118.32 -131.08 9.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.013 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 1.6 p90 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.876 0.37 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 58.29 30.33 19.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.95 -125.83 3.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -74.69 128.58 35.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -136.08 69.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -144.66 30.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -125.4 168.39 13.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.828 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -86.3 -36.53 19.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.73 80.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.2 -79.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p 50.06 88.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.99 80.92 59.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.12 -23.61 22.93 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.596 2.198 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.427 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 19.1 ttt -59.6 -26.44 65.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.032 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.5 m -64.65 -16.3 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.261 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.98 44.42 1.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.837 0.351 . . . . 0.0 111.457 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 14' ' ' MET . 33.7 mt -122.45 86.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.972 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.11 30.4 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 60.16 62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER -80.77 154.07 27.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.781 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.412 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 42.95 90.22 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.296 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.5 t -134.76 31.85 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -173.54 116.05 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -178.35 100.88 0.21 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.34 -26.7 16.37 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.442 2.095 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 5.7 m-85 -108.16 29.37 7.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -176.49 106.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 t0 59.8 59.8 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -175.91 160.88 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.44 121.35 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -146.41 132.57 19.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.28 125.86 8.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -30.56 69.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.46 -41.79 6.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.27 103.75 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.32 159.17 30.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.74 -59.02 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.564 2.176 . . . . 0.0 112.378 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -174.9 150.81 1.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.43 80.51 0.88 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 2.9 p -112.0 -17.95 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 0.0 111.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 58.67 18.8 6.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.807 0.337 . . . . 0.0 111.302 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.45 62.82 2.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.949 0.404 . . . . 0.0 111.194 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 18.4 m-30 -69.84 172.82 7.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.744 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.0 mm -112.95 96.67 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 110.551 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.531 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -67.91 126.03 28.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.877 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 26.0 mm -84.83 -96.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.462 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.56 125.57 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.284 0.564 . . . . 0.0 112.055 178.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 126' ' ' PHE . 4.8 mt -108.81 157.46 9.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.32 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.8 pt20 -141.9 92.41 2.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 111.024 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.6 tt0 -95.29 97.97 10.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -59.49 4.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.73 -151.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.016 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.53 35.76 3.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.538 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER 174.86 -26.67 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.61 67.13 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.976 0.417 . . . . 0.0 110.607 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -87.46 150.55 23.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.322 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 2.6 mt -144.75 80.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.3 m -62.59 121.74 14.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.096 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -108.12 162.55 13.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.946 0.403 . . . . 0.0 111.273 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.477 ' CG2' HG12 ' A' ' 106' ' ' ILE . 38.6 t -128.45 116.69 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.145 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.422 ' OE1' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -114.85 142.91 45.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.401 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.43 -30.07 7.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.882 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.512 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 8.2 mm -57.37 145.81 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.903 0.382 . . . . 0.0 111.079 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.41 ' HB1' ' CE1' ' A' ' 67' ' ' TYR . . . -79.69 134.34 36.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.34 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -63.31 -17.7 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -68.45 -25.29 64.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.512 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 5.4 m-30 -49.44 158.39 0.42 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.034 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -74.51 82.93 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.448 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -36.85 -41.72 0.34 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.739 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 4.8 mptt -66.3 -67.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.723 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -58.52 -20.37 45.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.245 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.58 -68.98 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.324 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.422 ' HB ' HD11 ' A' ' 96' ' ' ILE . 7.9 p -83.05 -44.99 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.792 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 2.4 tttm -47.85 -42.15 25.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.75 70.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.694 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CG ' HD23 ' A' ' 98' ' ' LEU . 7.9 t80 -60.64 -44.24 96.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.496 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -8.97 57.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.199 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.78 -20.22 15.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.683 0.278 . . . . 0.0 111.167 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -96.32 -49.11 5.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.547 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -107.73 -16.19 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.585 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 69.39 40.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.0 110.998 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.83 167.07 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.804 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -87.19 109.24 19.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.11 139.54 14.77 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.668 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.17 167.46 21.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.784 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.1 p -117.2 113.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.5 pt -119.35 145.66 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.309 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -102.37 75.18 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.468 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.444 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -56.35 137.45 75.46 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.135 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.57 -22.35 7.99 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.636 2.224 . . . . 0.0 112.289 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.444 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -82.35 -25.39 33.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.422 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -117.33 -50.9 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.819 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.94 103.36 2.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.726 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 58.03 91.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.213 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.9 m -142.54 128.39 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.1 mm -68.83 153.81 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.23 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.403 ' CG ' HG21 ' A' ' 59' ' ' THR . 1.1 tt0 -127.85 105.32 8.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 111.426 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 9.6 mt -93.74 157.3 16.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.031 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -94.49 138.17 32.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.858 0.361 . . . . 0.0 111.037 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.402 ' C ' ' HB ' ' A' ' 56' ' ' THR . . . 76.45 166.98 24.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.466 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.57 93.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.847 0.356 . . . . 0.0 110.758 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 9.24 33.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.08 -27.38 2.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.343 . . . . 0.0 111.287 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -97.0 -21.57 17.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.393 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -93.53 -37.24 12.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.249 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.477 HG12 ' CG2' ' A' ' 60' ' ' VAL . 6.2 tp -64.56 -50.89 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.127 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 15.9 m -57.15 -36.26 70.51 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.06 -33.0 69.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.397 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.455 ' CE2' HD12 ' A' ' 113' ' ' ILE . 76.5 t80 -72.48 -45.71 58.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.537 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.2 mp -56.68 -30.28 63.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.72 -30.73 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.52 -37.69 80.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.455 HD12 ' CE2' ' A' ' 109' ' ' PHE . 7.6 pt -95.09 -26.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.278 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.97 29.48 8.03 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.86 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.47 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 5.9 tp -75.19 -70.24 0.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.885 0.374 . . . . 0.0 110.722 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.86 -164.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.462 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.52 144.49 50.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.335 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.42 -30.47 29.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.0 -25.78 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.352 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 33.0 mt-30 -85.99 -11.49 52.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.283 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 54.6 mt -49.33 92.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.401 . . . . 0.0 111.002 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -113.82 84.43 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.732 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.421 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 11.0 p -91.78 122.66 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.531 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 37.5 m-70 -128.65 78.61 1.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.394 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.14 120.97 24.12 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.944 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD1' HG23 ' A' ' 48' ' ' ILE . 2.1 p90 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.353 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.791 0.329 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -34.69 64.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.75 77.86 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.49 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.04 168.09 20.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.1 t60 61.39 154.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -88.85 -68.12 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.61 -59.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -166.11 131.25 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -169.25 164.65 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -75.95 -35.31 59.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.39 -69.68 0.14 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -172.15 146.0 1.64 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.18 -43.51 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.581 2.188 . . . . 0.0 112.38 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.53 -20.94 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.192 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.8 m -86.17 -28.61 23.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.097 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.98 50.98 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.224 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG22 HD11 ' A' ' 17' ' ' ILE . 39.6 mt -90.59 141.98 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.05 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.57 101.48 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.816 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -111.4 80.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 59.45 174.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 58.59 84.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.1 m -73.67 -70.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.3 t80 57.57 103.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.38 109.55 1.83 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.12 -24.96 27.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.437 2.091 . . . . 0.0 112.185 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -113.07 45.47 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -163.88 93.85 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -133.53 -47.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.6 126.58 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m 59.55 93.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -81.32 75.92 8.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.29 85.29 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.541 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.6 t0 58.26 29.66 18.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.67 84.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -88.45 134.69 33.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 mp 62.59 148.81 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.08 -36.27 4.45 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.593 2.196 . . . . 0.0 112.316 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.2 136.79 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.48 27.18 0.42 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.587 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -153.08 24.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.731 0.301 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 5.6 mt-10 52.4 22.83 2.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.561 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t70 44.07 67.33 0.69 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.836 0.35 . . . . 0.0 111.427 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.4 m-30 -70.99 173.6 7.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.938 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.449 HG12 ' HB3' ' A' ' 120' ' ' GLN . 22.3 mm -111.92 99.18 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.183 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.37 118.87 12.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.194 -178.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.442 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 37.9 mm -79.81 -96.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.315 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 82.88 127.17 0.04 OUTLIER 'General case' 0 C--N 1.342 0.276 0 CA-C-O 121.227 0.537 . . . . 0.0 112.128 178.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 49' ' ' GLN . 44.0 mt -102.62 157.11 4.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.378 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -132.59 79.87 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.083 0.468 . . . . 0.0 110.472 179.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.439 ' CB ' ' CZ ' ' A' ' 126' ' ' PHE . 2.4 tt0 -89.65 98.43 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.307 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.4 126.39 30.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.423 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t30 62.95 22.62 13.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.819 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.93 34.59 90.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.685 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' THR . 77.3 mtt180 -150.65 -58.13 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.699 0.285 . . . . 0.0 111.246 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 73.85 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.441 . . . . 0.0 110.714 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -79.65 129.02 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.189 -179.715 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -140.54 88.11 2.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.602 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 55.4 m -63.14 125.28 23.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.35 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -108.08 158.18 17.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.944 0.402 . . . . 0.0 111.157 179.499 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.49 ' CG2' HG12 ' A' ' 106' ' ' ILE . 17.5 t -125.32 123.02 64.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.115 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.67 149.14 41.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.778 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.32 -29.82 11.27 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.107 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.503 HG21 ' CD2' ' A' ' 67' ' ' TYR . 5.6 mm -59.93 144.45 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.0 0.429 . . . . 0.0 111.187 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.422 ' HB1' ' CE1' ' A' ' 67' ' ' TYR . . . -84.54 133.57 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.225 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.7 -17.39 62.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.02 -10.93 59.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.207 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.503 ' CD2' HG21 ' A' ' 63' ' ' ILE . 6.3 m-30 -53.31 -177.09 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.834 0.349 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -54.71 -30.24 55.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.15 -76.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 1.3 mptp? -56.77 -69.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.574 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -21.55 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 2.5 tt -54.86 -67.14 0.29 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.404 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 5.4 p -89.45 -30.65 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.481 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -59.4 -41.65 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.563 179.685 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.15 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.783 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.447 ' CZ ' HD12 ' A' ' 98' ' ' LEU . 7.5 t80 -57.73 -44.77 86.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.549 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 15.4 mttt -69.2 -12.34 61.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.238 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -98.85 -19.26 17.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.695 0.283 . . . . 0.0 111.22 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 47.0 tttp -101.11 -37.49 8.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.739 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.407 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 6.2 m-85 -114.45 -14.21 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.716 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 66.5 32.38 7.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.013 0.435 . . . . 0.0 110.823 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 72.7 m -101.51 -177.06 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.728 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -112.05 114.96 28.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.404 ' HA3' ' CG2' ' A' ' 73' ' ' VAL . . . -115.02 135.81 12.64 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.695 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.7 p -131.66 131.37 43.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.804 0.335 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.08 64.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.971 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 pt -67.65 152.36 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.281 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -101.84 73.15 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.368 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.8 t-80 -54.31 134.3 61.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.295 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -77.33 -16.62 15.26 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.517 2.145 . . . . 0.0 112.196 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -82.64 -23.31 34.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.972 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.6 m-85 -123.93 -52.15 1.78 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.035 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.73 101.99 2.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 62.54 81.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.7 m -133.17 141.88 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.3 mm -81.23 135.32 25.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -125.09 117.08 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.13 0.491 . . . . 0.0 111.696 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.447 HD12 ' CZ ' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -98.51 158.05 15.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.359 179.199 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.68 140.03 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.212 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.18 178.3 52.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.58 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -81.21 83.26 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.508 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.402 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -94.92 10.96 33.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.197 -179.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.4 ptt85 -49.01 -25.78 2.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.833 0.349 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -102.42 -21.51 14.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.296 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -89.44 -41.61 11.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.711 0.291 . . . . 0.0 111.26 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.49 HG12 ' CG2' ' A' ' 60' ' ' VAL . 7.2 tp -60.6 -50.01 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.292 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.8 p -57.93 -35.12 70.65 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -33.34 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.502 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.455 ' CE1' ' CG2' ' A' ' 113' ' ' ILE . 75.0 t80 -72.97 -43.85 61.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.589 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.1 mp -58.51 -29.58 66.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.7 t -92.95 -26.84 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.2 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.76 -33.08 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.033 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.455 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 9.8 pt -97.67 -24.48 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.436 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.91 27.77 9.27 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.838 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.477 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 4.6 tp -78.3 -71.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.765 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -94.35 163.3 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.426 ' HE3' ' N ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -89.83 150.8 22.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.548 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -58.09 -27.51 63.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.962 0.411 . . . . 0.0 110.409 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -83.18 -24.51 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.343 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 31.7 mt-30 -81.94 -14.13 56.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.247 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 60.2 mt -49.67 91.07 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 111.078 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 120' ' ' GLN . 5.7 mmtt -110.08 84.25 1.89 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.78 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.4 p -92.53 116.81 34.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.373 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 27.6 m-70 -122.96 83.46 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.225 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -56.18 119.54 15.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.22 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.439 ' CZ ' ' CB ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.265 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.1 mtp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.771 0.319 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -123.78 115.04 20.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.62 -172.53 0.82 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -158.71 118.55 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -139.51 109.29 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.84 90.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.61 122.79 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -93.02 80.66 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -147.36 32.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -163.43 -55.75 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.8 m 62.88 -81.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 174.53 131.77 0.13 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.701 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.72 -28.08 45.57 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.371 2.048 . . . . 0.0 112.23 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.7 mtm -61.63 -27.3 68.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.2 m -72.26 -37.93 68.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.5 76.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.8 mt -103.29 160.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.06 121.71 10.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -109.42 43.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.8 mt -70.6 149.74 46.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -112.92 -173.66 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.1 t 66.55 112.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -156.95 64.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -110.93 142.93 27.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -31.22 74.89 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.503 2.135 . . . . 0.0 112.313 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -110.09 40.95 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -172.38 91.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -150.54 -65.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.19 177.11 4.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -159.15 -75.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 38.28 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.6 91.28 1.58 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.452 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -118.86 31.73 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.326 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.03 -33.47 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.84 75.73 1.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.771 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.9 mt -57.71 151.21 43.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.19 108.0 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.497 2.131 . . . . 0.0 112.393 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -121.91 65.08 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.43 -63.36 4.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.422 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 19.0 p -127.11 9.18 6.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.615 0.245 . . . . 0.0 111.273 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 5.6 mt-10 52.61 23.8 2.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.735 0.302 . . . . 0.0 111.445 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 t0 45.58 71.33 0.29 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.345 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.471 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 18.7 m-30 -78.68 170.8 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.45 HG12 ' HB3' ' A' ' 120' ' ' GLN . 32.5 mm -106.75 99.26 8.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.994 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -72.61 115.67 12.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.173 -178.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.455 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 34.3 mm -74.17 -94.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.573 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 7.0 tpt180 85.47 130.21 0.04 OUTLIER 'General case' 0 C--N 1.344 0.364 0 CA-C-O 121.159 0.504 . . . . 0.0 112.003 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.429 HG23 ' CD1' ' A' ' 126' ' ' PHE . 3.8 mt -114.03 156.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.389 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 7.6 pt20 -139.96 101.73 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.991 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.6 OUTLIER -102.62 111.38 23.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.666 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -80.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.314 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.48 43.67 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.691 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.95 19.82 59.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.878 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.413 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -145.04 -44.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -71.27 65.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.44 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.439 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -75.26 144.22 42.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.953 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.9 mt -145.47 90.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 m -65.69 122.55 17.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -105.14 161.32 14.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.36 . . . . 0.0 110.978 179.61 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.441 ' CG2' HG12 ' A' ' 106' ' ' ILE . 18.8 t -128.01 119.69 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.465 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 19.9 mt-30 -114.01 143.42 44.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.606 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.93 -34.66 5.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.605 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.499 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 8.5 mm -52.74 142.44 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.016 0.436 . . . . 0.0 111.405 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -81.23 138.37 35.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.375 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.62 -16.83 64.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.895 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.91 -24.61 62.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.499 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 5.6 m-30 -48.33 159.18 0.22 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.221 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.13 80.33 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.172 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -37.48 -43.04 0.56 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.731 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 12.6 mttt -62.15 -68.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.719 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -62.2 -15.7 48.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.594 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 tt -67.88 -70.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.58 0.228 . . . . 0.0 111.501 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.435 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 8.8 p -84.43 -45.85 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 8.6 mmtm -48.57 -41.74 31.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.64 -31.65 72.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.556 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -60.2 -43.93 95.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.557 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -9.15 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.245 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 -20.96 13.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.668 0.271 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -95.12 -39.19 10.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.51 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 4.9 m-85 -113.89 -18.47 11.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.649 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 74.32 33.32 0.9 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.923 0.392 . . . . 0.0 110.93 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 66.3 m -105.5 -179.32 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.59 117.98 35.47 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.435 ' HA3' ' CG2' ' A' ' 73' ' ' VAL . . . -121.83 134.33 9.86 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.654 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 p -123.73 168.11 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.001 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 11.1 p -120.22 71.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 pt -79.05 149.6 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.535 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -104.01 75.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.173 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -51.24 129.14 31.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.332 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.5 -13.44 22.63 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.433 2.089 . . . . 0.0 112.29 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.6 OUTLIER -86.1 -24.45 26.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -126.0 -54.96 1.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.89 -113.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -100.09 90.81 4.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.732 0.301 . . . . 0.0 110.757 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.413 ' CG1' ' CG ' ' A' ' 61' ' ' GLN . 20.3 m -118.72 136.59 55.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.284 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -74.2 151.18 7.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.859 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.66 101.8 7.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.762 0.315 . . . . 0.0 111.52 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 8.8 mt -91.53 155.97 18.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.329 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.01 142.54 27.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.885 0.374 . . . . 0.0 111.103 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.75 179.13 51.18 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.572 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.41 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 23.7 p-10 -83.47 78.43 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.034 0.445 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.435 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.2 OUTLIER -91.34 13.92 16.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.141 -179.818 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -47.32 -28.92 2.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.927 0.394 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -101.52 -21.86 14.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.031 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -84.12 -37.25 22.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.061 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.441 HG12 ' CG2' ' A' ' 60' ' ' VAL . 4.8 tp -66.53 -52.23 48.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.053 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 59.5 m -55.74 -33.56 64.37 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.29 -35.24 66.1 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.418 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.428 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 74.2 t80 -72.05 -45.64 60.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.474 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 mp -57.24 -30.33 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.707 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.73 -31.33 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.201 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.96 -29.78 66.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.428 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 7.7 pt -103.96 -25.24 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.445 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.64 31.95 7.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.766 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.461 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 6.0 tp -76.88 -70.47 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.983 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -89.24 -169.18 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.704 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 144.9 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.421 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -54.91 -31.61 60.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.924 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.7 p30 -80.71 -19.85 44.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 33.5 mt-30 -89.32 -10.98 44.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.9 mt -49.03 92.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.162 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -114.78 84.52 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.401 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 13.1 p -94.88 124.3 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.341 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 16.6 m-70 -130.2 85.41 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.393 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.62 121.93 21.22 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.176 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.422 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.8 0.333 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -161.97 70.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.746 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.38 105.0 1.47 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.429 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.5 p -119.94 -52.01 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.042 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.03 -32.56 24.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -147.72 146.31 29.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -81.16 -68.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -150.27 138.22 20.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -107.73 109.89 21.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 t60 62.77 146.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.29 39.86 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -174.61 64.73 0.26 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.12 -29.19 27.32 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.545 2.163 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.2 mmt -63.36 -29.39 70.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m -69.57 -31.25 69.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.48 80.29 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.9 mt -109.67 80.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -116.68 -170.48 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -125.13 80.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.0 tp -73.74 114.93 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -118.96 160.37 22.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 m 61.7 115.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.98 138.38 31.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t0 61.41 67.5 1.36 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.89 -27.36 84.75 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.718 2.279 . . . . 0.0 112.252 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -113.9 46.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.95 72.12 7.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.4 p30 -177.01 94.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.4 178.28 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.99 -169.21 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -60.28 163.06 5.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.93 74.22 1.4 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -153.98 80.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.02 -45.12 86.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.39 107.97 2.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 mp -92.51 164.58 22.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.04 80.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 56.42 67.6 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.306 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.79 -62.05 1.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.288 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.427 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -102.13 -24.61 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.713 0.292 . . . . 0.0 110.852 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -49.37 -27.1 3.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.216 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -62.88 80.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.708 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.427 ' CE1' ' O ' ' A' ' 40' ' ' THR . 9.3 m-85 -91.63 176.56 6.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.42 HG13 ' HB3' ' A' ' 116' ' ' ALA . 24.8 mm -111.74 97.84 6.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.493 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.451 ' CE1' ' NE2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.53 130.08 41.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.929 -179.24 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 18.2 mm -88.91 -97.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.218 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.59 124.63 0.03 OUTLIER 'General case' 0 C--N 1.345 0.387 0 CA-C-O 121.149 0.5 . . . . 0.0 111.933 178.795 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.433 HG23 ' CD1' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -103.35 154.66 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.406 179.295 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' N ' HG21 ' A' ' 48' ' ' ILE . 7.0 pt20 -139.85 104.04 4.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 111.053 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -105.63 119.74 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.593 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -67.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.393 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -92.63 38.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.224 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.46 22.53 38.77 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.372 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -156.35 -45.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.53 66.39 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 0.0 110.357 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.427 ' CG2' HG21 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -71.87 158.03 36.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.086 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 2.2 mt -149.56 80.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.0 m -58.88 120.65 9.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.407 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -105.15 161.97 13.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.917 0.389 . . . . 0.0 110.81 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.43 ' CG2' HG12 ' A' ' 106' ' ' ILE . 29.1 t -130.88 110.5 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.057 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -103.33 140.45 37.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.478 179.682 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.2 -26.47 10.37 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.063 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.478 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 12.7 mm -65.47 146.42 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.943 0.401 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.418 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . . . -86.07 132.9 33.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.382 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.28 -19.24 61.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.741 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -23.54 66.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.746 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.504 ' CE2' ' HG ' ' A' ' 115' ' ' LEU . 5.8 m-30 -49.91 158.0 0.55 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -73.2 78.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.45 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -41.18 -38.05 1.02 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.311 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -61.74 -55.96 24.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.544 179.587 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -84.29 4.83 29.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.532 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.414 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 1.8 tt -85.38 -58.67 2.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.765 0.316 . . . . 0.0 110.788 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.408 ' CG1' ' CD1' ' A' ' 96' ' ' ILE . 2.0 m -89.62 -40.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.332 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 5.4 ttpt -52.77 -40.84 63.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.009 0.433 . . . . 0.0 110.33 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.45 -31.55 72.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.515 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 7.7 t80 -65.27 -57.08 9.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -54.93 -22.24 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.488 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.37 -19.99 21.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 111.408 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -101.06 -30.42 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.827 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 28.2 m-85 -117.64 -15.27 10.18 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 73.47 24.36 2.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.3 m -102.35 -162.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.294 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -121.56 115.74 23.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.92 0.39 . . . . 0.0 110.153 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.34 120.31 6.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.365 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 p -121.95 153.68 38.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.844 0.354 . . . . 0.0 111.285 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.0 p -107.39 124.07 63.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.604 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.2 pt -135.93 157.02 38.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.05 0.452 . . . . 0.0 111.595 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -111.23 74.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.198 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -56.45 142.79 68.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.359 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 86.3 Cg_endo -82.52 -26.08 2.8 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.735 2.29 . . . . 0.0 112.248 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.427 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 2.8 mm-40 -80.56 -24.2 39.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.425 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -117.55 -49.77 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.059 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.75 99.62 1.82 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.565 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.03 93.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.713 0.292 . . . . 0.0 111.076 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.9 m -143.66 145.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -87.6 125.47 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.147 179.679 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.11 111.46 23.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.695 -179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 1.5 mp -93.78 167.42 11.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.561 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 138.71 41.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 0.0 110.945 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.62 173.78 18.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.256 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.413 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 5.0 p-10 -69.42 98.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.009 0.433 . . . . 0.0 110.67 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.05 2.49 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.407 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.16 -27.86 1.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.732 0.301 . . . . 0.0 111.561 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -95.39 -23.79 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.347 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 80' ' ' PHE . 60.5 m-80 -91.99 -32.37 15.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.681 0.276 . . . . 0.0 111.304 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.43 HG12 ' CG2' ' A' ' 60' ' ' VAL . 8.8 tp -65.22 -47.99 85.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.186 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.3 p -53.48 -35.03 60.12 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.422 0.63 . . . . 0.0 109.453 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -44.9 76.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.064 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.45 ' CE1' ' CG2' ' A' ' 113' ' ' ILE . 70.7 t80 -63.04 -49.46 74.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.286 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 mp -54.61 -30.52 54.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.1 t -95.6 -24.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.045 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -75.42 -39.38 59.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.45 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 11.4 pt -92.23 -24.23 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 111.365 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.97 28.4 8.27 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.861 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 4.8 tp -76.87 -70.27 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.472 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.42 ' HB3' HG13 ' A' ' 44' ' ' ILE . . . -90.74 -165.27 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.418 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 145.38 48.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.505 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -55.27 -32.05 62.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.384 . . . . 0.0 110.66 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -79.4 -25.65 42.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.3 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.405 ' HB3' HG12 ' A' ' 44' ' ' ILE . 28.3 mt-30 -85.48 -8.63 58.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.217 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.9 mt -50.91 92.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.344 . . . . 0.0 111.116 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -115.1 82.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.454 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.3 p -94.23 123.33 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.304 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 22.1 m-70 -126.71 80.72 1.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.178 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.11 120.99 17.44 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.222 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.276 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.904 0.383 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.17 36.81 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.76 107.84 0.38 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.68 62.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -172.34 142.25 1.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -143.07 -47.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -163.71 -53.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.65 140.54 38.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.69 155.05 33.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.22 53.39 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.46 94.78 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.805 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.21 131.01 24.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.94 -33.36 71.96 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.468 2.112 . . . . 0.0 112.305 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.6 mtt -57.86 -26.87 62.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 p -73.57 -27.82 61.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.02 50.27 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.224 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.9 mt -120.18 107.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 61.56 33.3 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.95 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.82 29.22 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tp -139.12 32.77 2.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 26.7 t60 -125.73 20.79 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 p 54.59 -169.49 0.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.843 0.354 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.3 t80 59.61 100.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -176.92 157.68 1.39 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.0 -24.74 25.83 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.566 2.177 . . . . 0.0 112.293 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -111.6 45.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -174.89 75.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.054 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.64 175.43 11.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.93 164.16 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.59 -170.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -154.62 123.01 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.36 -141.24 23.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -176.34 96.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 t0 60.76 76.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 mp -79.34 119.09 21.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.98 153.96 82.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.64 -30.03 23.5 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.577 2.184 . . . . 0.0 112.288 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -137.51 72.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.84 24.2 6.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -111.4 -19.09 12.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.577 0.227 . . . . 0.0 111.21 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.52 12.56 7.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.501 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 t0 49.7 58.66 5.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.028 0.442 . . . . 0.0 111.051 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 40' ' ' THR . 20.3 m-30 -56.4 165.99 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.039 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.42 HG12 ' HB3' ' A' ' 120' ' ' GLN . 46.1 mm -114.64 92.08 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.624 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -63.73 134.2 54.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.903 -179.404 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 20.6 mm -93.35 -99.64 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.099 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.0 tpp180 85.42 119.45 0.04 OUTLIER 'General case' 0 C--N 1.344 0.356 0 CA-C-O 121.223 0.535 . . . . 0.0 111.957 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 48' ' ' ILE . 7.0 mt -99.65 155.02 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.38 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.5 pt20 -136.76 97.55 3.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.401 . . . . 0.0 111.251 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -103.99 106.79 17.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.388 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.809 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -93.69 23.76 4.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.742 0.306 . . . . 0.0 111.484 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.08 20.57 64.74 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -148.02 -40.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.62 0.248 . . . . 0.0 111.326 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -79.47 62.13 3.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.113 0.483 . . . . 0.0 110.203 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.433 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -66.17 153.94 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.258 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 3.1 mt -154.13 75.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.2 m -52.86 142.96 17.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -131.43 147.77 52.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.93 0.395 . . . . 0.0 111.025 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.478 ' CG2' HG12 ' A' ' 106' ' ' ILE . 49.9 t -120.26 114.31 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.06 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -106.53 143.48 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.453 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.33 -35.45 4.65 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.634 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.537 HG21 ' CD2' ' A' ' 67' ' ' TYR . 8.2 mm -46.62 151.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.375 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' HB1' ' CE1' ' A' ' 67' ' ' TYR . . . -86.59 146.06 26.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.867 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.46 -17.95 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.658 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -25.52 64.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.638 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CD2' HG21 ' A' ' 63' ' ' ILE . 4.7 m-30 -52.97 -177.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.007 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -103.48 79.51 1.7 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.224 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -41.12 -43.06 2.16 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -68.71 -58.73 3.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.881 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -32.28 67.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.404 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' HG ' ' CD2' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -60.93 -59.67 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.96 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.5 m -75.88 -28.8 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.328 . . . . 0.0 110.715 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -68.6 -52.16 34.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.907 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.63 99.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.165 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 13.4 t80 -46.7 -54.08 10.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.019 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 42.2 mtmt -58.47 -20.32 44.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -81.64 -18.73 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.985 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -103.82 -40.79 6.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.693 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -121.57 -11.75 8.63 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.19 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.91 39.72 10.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.408 . . . . 0.0 110.861 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 79.1 m -105.39 134.51 48.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.89 104.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.91 130.09 9.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.338 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.4 p -130.22 152.18 49.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 0.0 111.275 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.4 p -98.37 133.32 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.666 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.1 pt -147.72 140.83 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 111.436 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -97.8 72.77 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.638 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -54.73 129.41 64.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.35 -13.14 23.03 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.422 2.081 . . . . 0.0 112.442 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -86.31 -23.94 26.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -122.71 -55.37 1.82 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.66 98.01 2.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.6 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.42 93.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 111.132 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.0 m -140.03 144.1 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.5 mm -92.36 123.66 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.215 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.69 110.24 22.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.619 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.449 ' CD2' ' CD2' ' A' ' 76' ' ' PHE . 13.6 mt -97.5 156.64 16.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.94 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -92.84 135.13 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.79 175.68 51.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.413 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -75.04 93.47 2.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.347 . . . . 0.0 110.669 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.29 6.09 24.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.388 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -26.46 2.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.746 0.308 . . . . 0.0 111.216 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -99.6 -23.95 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.285 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -87.77 -43.21 12.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.138 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.478 HG12 ' CG2' ' A' ' 60' ' ' VAL . 4.2 tp -61.34 -49.84 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.421 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 26.4 p -56.77 -37.66 71.41 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.6 -33.37 70.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.52 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.465 ' CE1' ' CG2' ' A' ' 113' ' ' ILE . 84.9 t80 -72.86 -45.38 58.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.282 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 115' ' ' LEU . 4.8 mp -54.75 -31.5 58.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.732 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 72.7 t -94.04 -29.96 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.79 -36.87 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.465 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 12.3 pt -97.02 -31.02 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.26 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.83 28.87 5.76 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.631 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.498 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 11.0 tp -74.05 -71.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.706 0.289 . . . . 0.0 110.664 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 110' ' ' LEU . . . -90.13 -168.68 2.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.295 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 146.97 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.722 0.296 . . . . 0.0 110.274 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.4 ' HA ' HD13 ' A' ' 121' ' ' LEU . 2.0 m-20 -58.41 -32.21 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.0 110.403 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -78.99 -22.43 45.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.174 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.422 ' CB ' ' HA ' ' A' ' 43' ' ' TYR . 21.0 mt-30 -89.57 -7.68 54.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.345 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 118' ' ' ASP . 45.5 mt -54.07 89.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.87 0.367 . . . . 0.0 111.022 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -111.31 84.59 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.421 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.2 p -94.59 123.81 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.356 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 32.4 m-70 -128.78 75.07 1.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.07 120.33 21.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.365 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.111 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.774 0.321 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -100.18 154.18 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -116.08 119.91 4.71 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.6 t -114.12 -39.4 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 95.91 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.26 97.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.34 88.92 2.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -115.53 150.94 35.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -173.55 119.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -117.92 99.3 6.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -131.62 121.43 24.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -133.37 82.25 53.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.12 -20.78 32.22 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.627 2.218 . . . . 0.0 112.468 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.8 mtt -55.66 -21.98 20.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.344 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.88 21.69 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.252 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.84 38.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.852 0.358 . . . . 0.0 111.003 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.19 157.53 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.198 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -152.8 165.45 35.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -129.18 -51.84 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 tp 57.02 46.66 18.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.7 t60 63.5 111.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -94.75 175.5 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 t80 60.9 77.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 20.8 p30 -137.42 62.71 38.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 24' ' ' ASP . 45.9 Cg_exo -56.13 -34.14 92.13 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.501 2.134 . . . . 0.0 112.342 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.34 -64.11 1.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.04 51.12 2.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -24.47 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.18 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.13 110.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.274 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.59 -41.34 7.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.78 105.34 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.84 -69.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.488 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -168.8 39.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.1 -68.58 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.58 124.82 36.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.51 151.51 87.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.57 -34.21 20.26 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.545 2.163 . . . . 0.0 112.261 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.49 120.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.35 20.71 7.87 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.571 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.488 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -171.46 -38.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.835 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 63.68 14.04 7.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.613 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 t70 47.75 60.45 3.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.96 0.409 . . . . 0.0 111.043 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.488 ' CE1' ' O ' ' A' ' 40' ' ' THR . 17.3 m-85 -61.19 173.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.035 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' ' 120' ' ' GLN . 23.8 mm -110.26 96.58 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.182 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.524 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.6 117.47 11.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.933 -178.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 34.3 mm -79.35 -97.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.335 178.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.3 132.19 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 111.974 178.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.426 HG23 ' CD1' ' A' ' 126' ' ' PHE . 1.3 mt -113.6 156.02 14.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.298 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.419 ' N ' HG21 ' A' ' 48' ' ' ILE . 3.6 pt20 -142.78 95.42 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.423 . . . . 0.0 111.109 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -99.7 97.15 8.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.617 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -55.25 -33.39 63.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -131.75 -151.38 0.46 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.848 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.57 29.94 6.41 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.343 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 56' ' ' THR . 9.8 ptp180 -178.08 -32.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.479 0.18 . . . . 0.0 111.456 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.84 70.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.937 0.399 . . . . 0.0 110.597 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -90.78 163.33 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.339 -179.462 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 5.6 mt -156.82 75.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.715 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.1 m -56.83 136.42 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.109 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -120.73 146.7 46.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.899 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.402 HG13 HG12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -113.06 119.44 60.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.633 179.564 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.56 152.11 34.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.847 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.09 -34.89 5.27 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.085 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.52 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 2.5 mm -51.94 146.4 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 111.15 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.481 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -88.46 140.87 29.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.641 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -65.57 -19.59 65.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.697 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -70.4 -19.57 63.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.527 ' CD2' ' CD1' ' A' ' 115' ' ' LEU . 6.3 m-30 -51.91 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -92.61 76.86 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.202 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.63 -48.07 2.06 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.774 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 6.8 mtpm? -64.91 -46.67 80.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 10.98 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.048 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HG ' ' CD2' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -105.78 -68.9 0.85 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 110.939 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.4 p -76.34 -39.54 34.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -65.46 -44.57 86.8 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.6 98.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.681 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CZ ' HD11 ' A' ' 98' ' ' LEU . 18.2 t80 -50.45 -39.01 46.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.747 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.7 mtpp -74.81 -6.67 50.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.472 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -104.84 -19.91 13.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.433 ' HD3' ' CE2' ' A' ' 80' ' ' PHE . 1.8 tttm -90.53 -46.43 8.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.324 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.433 ' CE2' ' HD3' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -115.36 -14.04 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.637 -179.587 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 69.06 43.26 1.14 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.996 0.427 . . . . 0.0 110.648 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.7 m -108.75 152.94 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.979 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.26 111.2 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.764 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.5 139.16 15.47 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.67 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.3 p -132.27 165.12 24.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.699 0.285 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.48 129.75 71.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -145.24 161.69 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.407 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -106.17 75.05 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.223 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.8 t-80 -54.44 138.57 59.36 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.497 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.12 -16.53 11.05 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -84.4 -22.48 30.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.4 m-85 -127.53 -54.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.043 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.78 100.76 2.65 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.739 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 63.57 87.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.439 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.4 m -141.31 140.08 32.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.785 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -76.76 157.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.396 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' HB2' ' CD1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -131.83 103.53 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.368 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.486 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 15.3 mt -91.49 156.72 17.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.897 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -93.24 135.54 34.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.884 0.373 . . . . 0.0 111.186 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.85 166.6 33.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -65.49 94.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.21 5.54 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.41 -29.74 2.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.901 0.382 . . . . 0.0 111.138 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -25.52 17.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -85.15 -40.56 16.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.197 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 tp -61.64 -51.13 76.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.4 p -56.72 -35.0 68.05 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -33.19 68.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.572 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.465 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 68.0 t80 -73.89 -43.12 59.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.347 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.02 -29.84 65.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.67 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.9 t -93.83 -29.9 4.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.34 -36.72 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.467 HD13 HD11 ' A' ' 115' ' ' LEU . 6.7 pt -99.42 -23.17 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.4 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.8 32.19 8.18 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.409 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.527 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 8.4 tp -74.18 -69.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.075 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -94.42 -168.59 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.689 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.66 143.28 45.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.376 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.435 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.9 p-10 -53.28 -30.32 37.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.98 -26.3 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.248 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.443 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 32.8 mt-30 -83.8 -9.04 59.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.342 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 51.8 mt -52.23 89.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.35 . . . . 0.0 111.178 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.415 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 3.1 mmtt -109.29 81.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.531 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.409 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 13.2 p -91.97 117.54 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.488 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.524 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 31.2 m-70 -122.12 79.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.132 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.51 120.91 16.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.206 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.295 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.866 0.365 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 61.17 111.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.7 101.97 1.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.43 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.6 t -166.44 -74.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -137.35 -177.37 4.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -103.12 153.97 19.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -170.6 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -55.81 100.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -174.5 77.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.806 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.55 111.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.37 -56.62 10.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 59.92 95.36 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.18 -19.72 69.3 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.415 2.076 . . . . 0.0 112.312 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.3 mtm -57.16 -27.95 62.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.007 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -59.61 -35.76 74.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.72 87.65 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.7 mt -110.2 143.9 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -154.89 -178.63 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 59.9 34.74 21.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -152.78 -60.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -133.91 67.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -156.16 124.43 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -103.06 123.13 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -50.25 103.7 0.38 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.51 -15.17 48.45 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.739 2.293 . . . . 0.0 112.626 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -104.49 25.29 10.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.102 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.66 -146.51 0.19 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.47 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.95 177.09 5.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -173.0 160.96 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t -67.15 145.86 54.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -160.01 107.92 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.91 -116.09 3.65 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.556 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.3 t70 59.95 105.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.7 35.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.5 mt -118.91 105.9 11.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mp -97.8 153.9 38.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.22 138.33 54.77 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.537 2.158 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -175.88 159.44 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.68 -27.55 2.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.42 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -121.35 32.36 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.741 0.305 . . . . 0.0 110.863 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.86 -32.4 60.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.88 70.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.427 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.42 ' CE1' ' O ' ' A' ' 40' ' ' THR . 5.8 m-85 -69.22 172.78 6.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.448 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.45 HG12 ' HB3' ' A' ' 120' ' ' GLN . 24.5 mm -109.13 101.01 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.137 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -79.24 116.4 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.068 -178.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 38.5 mm -70.57 -92.74 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.992 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' A' ' 124' ' ' HIS . 0.1 OUTLIER 89.06 118.65 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.06 0.457 . . . . 0.0 112.099 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 49' ' ' GLN . 12.6 mt -104.21 158.69 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.147 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.473 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.0 pt20 -143.01 94.43 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.96 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.46 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 1.4 tt0 -101.5 104.69 15.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.482 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -78.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.501 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -96.51 38.03 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 111.152 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.63 22.74 68.26 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.226 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 30.6 ptt180 -148.92 -47.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 0.0 110.992 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -72.79 64.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 0.0 110.228 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.46 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -74.26 150.96 40.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.36 -179.339 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.436 ' HB2' ' CG ' ' A' ' 49' ' ' GLN . 6.4 mt -150.28 79.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.42 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 60.4 m -59.72 123.64 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.394 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -103.21 161.29 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.005 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.426 ' CG2' HG12 ' A' ' 106' ' ' ILE . 21.5 t -128.63 116.95 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.05 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.71 153.61 26.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.629 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.27 -42.57 1.93 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.457 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.513 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -48.08 145.45 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.015 0.436 . . . . 0.0 110.947 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.476 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -81.3 161.6 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.506 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -79.44 -14.09 59.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.168 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -94.45 26.81 3.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.546 ' CE2' ' HG ' ' A' ' 115' ' ' LEU . 3.8 m-30 -92.14 19.32 7.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.288 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.05 77.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.881 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.83 -33.17 0.18 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.34 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -65.59 -51.13 62.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.588 179.556 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 25.01 2.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.416 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 tt -115.77 -50.44 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.346 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -94.46 -36.39 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -56.98 -41.06 77.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.998 0.427 . . . . 0.0 110.26 179.533 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.05 -28.4 69.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.402 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.41 ' CE1' HD11 ' A' ' 106' ' ' ILE . 6.5 t80 -64.49 -49.54 70.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.487 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 9.1 mtmt -63.34 -17.27 62.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -20.46 22.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.107 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.428 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -98.58 -47.99 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.588 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -115.15 -18.58 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.76 -179.379 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 72.99 41.63 0.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.992 0.425 . . . . 0.0 110.842 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.54 147.03 32.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.23 104.21 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.69 107.28 3.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.438 ' O ' HD11 ' A' ' 96' ' ' ILE . 68.0 p -107.33 162.24 14.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 111.069 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.4 p -114.05 68.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.5 pt -74.38 156.46 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.029 0.442 . . . . 0.0 111.63 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -109.62 73.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.14 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -54.47 134.13 62.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.322 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.85 -16.39 14.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.545 2.163 . . . . 0.0 112.36 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -84.32 -23.96 30.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.3 m-85 -122.21 -53.33 1.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.71 99.14 2.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.574 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.03 94.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 111.291 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.7 m -143.77 145.37 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.65 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' A' ' 59' ' ' THR . 2.8 mm -82.12 128.31 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.879 0.371 . . . . 0.0 110.577 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' HG3' HG21 ' A' ' 59' ' ' THR . 0.4 OUTLIER -104.69 110.14 22.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.71 -179.021 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 6.3 mt -95.67 157.67 15.79 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.54 139.2 30.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.874 0.368 . . . . 0.0 111.117 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.36 173.1 35.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -74.06 94.71 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.504 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.13 9.79 34.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.421 ' HB2' ' CG2' ' A' ' 123' ' ' VAL . 3.4 ptt85 -47.33 -28.81 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.73 0.3 . . . . 0.0 111.212 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.26 -21.48 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.325 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -89.62 -39.54 13.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.184 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.426 HG12 ' CG2' ' A' ' 60' ' ' VAL . 7.8 tp -62.31 -51.82 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.96 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 6.0 p -56.92 -32.33 65.83 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -73.31 -33.66 65.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.657 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.454 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 77.3 t80 -74.42 -44.65 50.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.379 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.04 -29.48 65.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.64 -31.05 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.993 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.06 -41.62 77.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.454 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 8.1 pt -92.22 -19.88 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.431 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.38 30.36 14.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.563 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.546 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 7.4 tp -74.52 -67.43 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.85 176.94 5.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 146.82 28.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.581 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -54.61 -30.95 56.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.006 0.431 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -78.56 -23.1 46.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.365 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.45 ' HB3' HG12 ' A' ' 44' ' ' ILE . 32.8 mt-30 -87.32 -11.6 48.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.107 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 39.5 mt -50.53 89.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.977 0.418 . . . . 0.0 111.389 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 120' ' ' GLN . 11.7 mmtt -113.32 81.01 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.076 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.421 ' CG2' ' HB2' ' A' ' 103' ' ' ARG . 12.0 p -94.22 128.86 45.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.163 -178.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.539 ' O ' ' HA ' ' A' ' 47' ' ' ARG . 1.7 m-70 -146.66 91.5 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.715 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 126' ' ' PHE . . . -45.95 -93.74 0.01 OUTLIER Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.56 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.425 ' CZ ' ' OE1' ' A' ' 50' ' ' GLN . 1.3 p90 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.857 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.815 0.341 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.66 143.72 31.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.0 -100.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.9 p -116.05 173.6 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.09 -49.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.51 105.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 0.2 OUTLIER -73.91 81.31 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.406 ' CG ' ' O ' ' A' ' 7' ' ' HIS . 3.8 m170 -169.73 34.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.9 11.08 17.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.371 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 53.95 57.84 5.61 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.951 0.405 . . . . 0.0 111.047 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.49 120.67 9.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 28.8 t70 -130.35 53.35 11.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 12' ' ' ASP . 73.3 Cg_endo -75.62 -3.95 14.58 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.663 2.242 . . . . 0.0 112.726 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -9.43 58.35 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.5 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.22 39.59 1.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 111.079 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.25 39.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.022 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 mt -90.28 156.51 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -140.47 134.62 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.61 64.61 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.3 tp 60.51 80.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -154.48 172.8 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.3 p -99.97 -176.68 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.5 147.73 47.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -133.41 69.16 77.35 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 38.5 Cg_exo -60.32 -30.43 91.02 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.621 2.214 . . . . 0.0 112.236 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -128.72 52.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -149.33 103.09 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -103.47 66.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.96 46.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -76.58 82.98 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 143.09 43.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.781 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.4 -136.74 6.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.555 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.01 61.4 6.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -159.81 112.96 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.823 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.06 165.88 6.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.75 146.54 94.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.99 116.88 3.45 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 112.365 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.0 130.57 41.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.83 45.05 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.544 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.431 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 1.8 p -109.36 -38.15 5.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 53.28 22.56 2.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.507 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 46.34 62.3 2.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.231 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.435 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.9 m-30 -67.6 174.54 3.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.774 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.421 HG12 ' HB3' ' A' ' 120' ' ' GLN . 19.3 mm -113.04 97.89 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.462 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -70.16 131.11 43.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.71 -179.287 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 31.0 mm -91.16 -99.27 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.41 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 7.1 tpt180 92.96 130.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.357 0.599 . . . . 0.0 112.457 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -106.03 166.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.027 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.489 ' N ' HG22 ' A' ' 48' ' ' ILE . 10.1 pt20 -157.17 98.12 1.7 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.177 0.513 . . . . 0.0 111.061 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.464 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 4.6 tt0 -99.63 93.75 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.809 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -55.82 21.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -104.45 -150.95 0.43 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.722 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.4 37.19 3.43 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.213 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.1 OUTLIER 174.52 -29.3 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 68.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.996 0.427 . . . . 0.0 111.223 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -87.78 149.53 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.949 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 3.3 mp -144.78 86.34 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -62.92 122.78 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.303 . . . . 0.0 111.194 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -99.85 167.14 10.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.414 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.439 ' CG2' HG12 ' A' ' 106' ' ' ILE . 49.0 t -137.11 115.22 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.008 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' OE1' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -116.59 141.02 48.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.48 -30.33 7.32 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.127 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.536 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -60.77 145.79 12.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.95 0.405 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.466 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -79.84 148.5 31.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.15 -7.24 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.201 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -94.85 23.3 5.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.395 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.536 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 5.5 m-30 -89.06 22.35 2.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.424 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 70' ' ' LYS . 3.6 t70 78.76 -14.76 0.83 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 tttt 62.98 -76.39 0.03 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.795 0.331 . . . . 0.0 111.15 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -53.05 -58.97 5.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.208 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -53.45 -24.08 11.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.442 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -57.98 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.219 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.3 m -87.45 -29.13 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.474 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -43.66 74.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.73 -30.95 67.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.07 -47.4 80.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.25 -13.77 59.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.361 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -100.59 -19.31 16.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.585 0.231 . . . . 0.0 111.298 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.436 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 5.7 tttm -98.08 -37.63 9.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.604 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.436 ' CZ ' ' CD ' ' A' ' 79' ' ' LYS . 7.5 m-85 -114.45 -18.15 11.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 73.21 33.88 1.1 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 26.7 m -108.44 179.19 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.6 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.416 ' ND2' ' C ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -100.64 118.3 36.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.421 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.65 106.64 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.271 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 35.2 p -104.3 156.68 17.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.412 ' HA ' HD12 ' A' ' 96' ' ' ILE . 9.2 p -116.47 71.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -81.67 149.78 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.274 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -103.76 73.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.522 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.412 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -57.45 136.94 81.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.094 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.56 -20.62 10.65 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.555 2.17 . . . . 0.0 112.26 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -79.43 -24.18 42.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -120.09 -49.5 2.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.11 -179.686 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.24 96.7 2.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 62.06 91.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.4 m -137.58 143.85 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.4 mm -83.4 127.71 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.363 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' HG3' HG21 ' A' ' 59' ' ' THR . 1.9 mt-30 -102.32 106.22 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.368 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 8.6 mt -89.96 159.91 16.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.898 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -94.07 141.81 28.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.964 0.411 . . . . 0.0 111.374 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 73.64 -179.5 40.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.591 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' HA ' HD12 ' A' ' 48' ' ' ILE . 30.9 p-10 -80.9 90.03 5.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.718 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.25 13.99 32.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.123 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.94 -27.3 3.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -103.06 -21.95 13.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.102 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -85.74 -37.25 19.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.439 HG12 ' CG2' ' A' ' 60' ' ' VAL . 6.8 tp -62.95 -52.45 59.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.979 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 71.0 m -58.04 -30.44 66.15 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -73.96 -32.81 63.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.575 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.453 ' CE1' ' CG2' ' A' ' 113' ' ' ILE . 76.0 t80 -75.83 -44.81 39.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.389 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 mp -57.07 -30.53 64.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.604 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.84 -31.11 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.76 -42.01 74.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.453 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 8.2 pt -91.52 -19.97 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.403 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.03 33.99 11.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.561 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 6.1 tp -78.24 -70.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.0 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.41 -179.72 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.731 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 154.81 18.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.549 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -29.03 70.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.99 0.424 . . . . 0.0 110.241 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -81.54 -29.13 33.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.169 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.435 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 32.0 mt-30 -78.73 -10.72 59.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.217 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 62.4 mt -51.85 88.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.979 0.418 . . . . 0.0 111.122 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.8 mmtt -111.12 89.16 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.54 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.6 p -94.26 125.66 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.866 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.523 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 20.8 m-70 -135.95 36.1 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.953 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.426 ' CA ' ' HB ' ' A' ' 48' ' ' ILE . . . -56.46 88.32 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.58 -0.736 . . . . 0.0 113.088 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.437 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.022 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ptt? . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.03 119.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.34 -62.5 0.27 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.1 t -145.58 173.78 11.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 110.829 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -77.03 -76.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.4 t60 60.36 85.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -125.39 104.41 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.714 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.6 m170 62.18 -83.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 46.72 75.32 0.12 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.86 0.362 . . . . 0.0 111.209 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.95 64.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -128.5 67.94 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -75.36 152.11 85.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.58 -36.27 59.59 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.525 2.15 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.1 mtp -74.41 -32.87 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 p -59.81 -31.07 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.71 74.99 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 mt -84.02 90.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -159.5 29.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.032 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -83.96 -87.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp 176.58 -75.7 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -122.65 -177.88 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.025 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 t -59.62 109.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -60.74 144.8 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -115.93 146.72 37.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.12 -23.52 29.45 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.549 2.166 . . . . 0.0 112.342 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -109.35 27.72 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.06 80.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.07 -28.87 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.73 150.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.986 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 p 59.22 -167.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.902 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.02 115.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.824 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 126.27 -44.68 1.22 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.601 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -144.09 33.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.775 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -135.03 -61.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.49 109.67 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.35 146.2 97.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.17 111.25 3.24 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.486 2.124 . . . . 0.0 112.293 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.83 118.97 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.7 -44.84 1.15 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.596 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.445 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -109.7 -14.79 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.575 0.226 . . . . 0.0 111.279 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 3.2 mm-40 60.26 17.76 7.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 0.0 111.303 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.6 t0 49.2 63.64 2.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.92 0.39 . . . . 0.0 111.117 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' CE1' ' O ' ' A' ' 40' ' ' THR . 18.9 m-30 -69.43 172.57 6.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.9 mm -116.06 96.53 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.047 0.451 . . . . 0.0 110.522 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.513 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -66.81 122.99 18.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.948 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 30.1 mm -84.18 -96.85 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.043 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.85 125.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.321 0.582 . . . . 0.0 112.429 178.713 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.479 HD11 HG22 ' A' ' 48' ' ' ILE . 5.3 mt -109.71 154.96 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.813 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -138.15 94.17 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.016 0.436 . . . . 0.0 111.242 179.508 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 2.7 tt0 -102.61 125.58 49.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.595 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.68 128.25 36.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.256 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.0 t30 51.47 29.23 5.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.267 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.59 17.14 76.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.387 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -145.66 -175.85 4.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.597 0.237 . . . . 0.0 110.772 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt 40.67 78.26 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.867 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.407 ' CG2' ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -86.86 151.81 23.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.132 -179.261 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.1 mp -146.09 88.37 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.73 123.44 20.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.812 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -104.64 158.97 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 0.0 111.229 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.425 ' CG2' HG12 ' A' ' 106' ' ' ILE . 66.4 t -126.83 113.91 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.0 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.442 ' OE1' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -118.05 140.78 49.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.347 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.74 -27.67 9.08 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.881 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.539 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 3.1 mm -64.49 147.74 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.982 0.42 . . . . 0.0 111.023 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.451 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -76.04 145.0 40.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.352 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.64 -9.06 58.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.257 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -94.16 23.09 5.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.297 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.539 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 5.4 m-30 -90.02 19.27 5.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.486 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 49.36 86.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.784 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -36.74 -38.8 0.18 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.529 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -61.35 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.088 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -79.65 59.17 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.258 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 tt -156.2 -66.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.24 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.41 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 13.6 p -89.28 -33.53 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.992 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -61.22 -41.41 96.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.073 0.463 . . . . 0.0 109.984 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.32 -29.2 70.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.585 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.449 ' CZ ' HD22 ' A' ' 98' ' ' LEU . 13.2 t80 -57.65 -54.46 46.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.663 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -63.87 -13.21 43.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.313 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -96.36 -19.31 19.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.654 0.264 . . . . 0.0 111.094 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -94.69 -46.1 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.715 -179.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.412 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 1.3 m-85 -109.83 -15.24 14.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 75.93 28.68 0.85 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 60.9 m -96.35 -170.72 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.63 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.13 108.59 18.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.118 0.485 . . . . 0.0 110.827 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.403 ' HA3' ' CG2' ' A' ' 73' ' ' VAL . . . -105.17 135.37 12.53 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.378 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.9 p -139.05 167.91 21.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 111.3 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.404 ' HA ' HD12 ' A' ' 96' ' ' ILE . 14.4 p -121.69 140.02 46.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.6 pt -150.37 145.4 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.354 . . . . 0.0 111.368 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -98.81 70.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.037 0.446 . . . . 0.0 110.549 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.427 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 3.1 t-80 -53.29 142.47 38.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.197 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 97.2 Cg_endo -80.49 -26.5 3.94 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.583 2.188 . . . . 0.0 112.444 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.3 -20.97 31.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.442 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 1.2 m-85 -116.12 -49.94 2.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.051 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.49 97.86 1.39 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.689 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 61.58 84.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.291 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.4 m -136.35 141.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.85 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.9 OUTLIER -79.6 141.23 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.124 179.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -114.15 101.94 9.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.921 0.391 . . . . 0.0 111.734 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.449 HD22 ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -81.94 170.12 15.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.837 178.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.98 138.28 45.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.319 . . . . 0.0 110.825 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.4 ' C ' ' HB ' ' A' ' 56' ' ' THR . . . 72.06 169.24 11.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.08 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -67.05 89.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.04 4.9 34.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.403 ' HB2' ' CG2' ' A' ' 123' ' ' VAL . 4.5 ptm180 -46.85 -27.9 1.39 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.847 0.356 . . . . 0.0 111.159 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -93.43 -25.67 17.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -88.81 -36.61 15.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.129 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.425 HG12 ' CG2' ' A' ' 60' ' ' VAL . 7.4 tp -62.36 -52.0 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 121' ' ' LEU . 4.7 p -55.89 -36.1 67.27 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -33.17 70.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.546 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.454 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 75.5 t80 -71.8 -44.45 63.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.509 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 mp -58.09 -30.13 66.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.63 -27.14 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.85 -37.32 64.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.454 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 9.4 pt -95.48 -19.09 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.525 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.31 30.05 15.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.657 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.505 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 5.6 tp -77.97 -70.26 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.76 -167.3 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.57 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.09 158.36 28.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.587 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.55 -26.28 68.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.992 0.425 . . . . 0.0 110.413 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -81.81 -31.91 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.427 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 27.7 mt-30 -77.85 -11.9 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.228 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 107' ' ' CYS . 79.2 mt -50.07 92.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.951 0.405 . . . . 0.0 111.133 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.412 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 2.1 mmtt -111.15 75.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 103' ' ' ARG . 10.3 p -88.91 112.91 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.136 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.513 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 40.7 m-70 -114.07 -32.7 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.339 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.36 -113.87 5.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.051 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 2.0 p90 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.787 0.327 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.89 35.49 16.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.1 -151.86 27.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.425 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.87 -170.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -62.83 158.65 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -88.75 141.35 28.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.55 151.73 46.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.62 -173.7 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -110.43 58.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 -51.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 64.0 m -77.1 136.05 38.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -169.39 138.16 1.62 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.822 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.06 -43.25 60.0 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.36 2.04 . . . . 0.0 112.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 mmt -76.88 -27.58 55.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.84 -31.08 68.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.15 72.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.9 mt -80.23 100.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.11 110.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -58.8 -32.07 69.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 tp -98.16 161.59 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.91 85.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.798 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.22 91.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -84.27 168.59 15.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -140.23 102.35 6.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.18 -21.22 50.49 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.407 2.071 . . . . 0.0 112.255 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.1 -76.86 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.24 95.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -94.14 65.13 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.31 170.85 17.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t 63.77 130.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 60.95 57.35 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.68 -60.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -99.25 46.91 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.977 0.417 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 t70 61.01 52.56 4.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 89.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.64 141.6 96.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.06 -36.08 83.55 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.266 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.7 172.04 14.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.86 46.28 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.438 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -92.45 -36.38 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.019 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 52.83 21.83 2.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.641 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 47.91 60.72 3.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.969 0.414 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.9 m-30 -65.02 168.05 7.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.474 HD11 ' HB3' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -110.68 100.9 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.997 179.476 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.526 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -77.38 120.05 21.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.141 -178.787 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 34.4 mm -77.56 -97.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.197 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 83.48 126.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.218 0.532 . . . . 0.0 112.367 178.558 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.461 HD11 HG22 ' A' ' 48' ' ' ILE . 40.9 mt -104.18 158.69 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.038 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.458 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.1 pt20 -136.01 87.53 2.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.915 0.388 . . . . 0.0 110.67 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.462 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 3.5 tt0 -92.83 106.9 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.328 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.85 123.44 27.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.087 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 t30 64.06 21.88 12.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.709 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.68 30.81 76.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.9 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.421 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 33.8 mmm-85 -144.57 -58.31 0.36 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.73 0.265 . . . . 0.0 111.487 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -65.73 71.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.945 0.403 . . . . 0.0 111.024 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.462 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -75.96 130.29 38.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.942 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.1 mp -139.57 96.24 3.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.67 117.58 13.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.021 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -103.01 147.37 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.406 . . . . 0.0 110.844 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.433 HG13 HG12 ' A' ' 63' ' ' ILE . 1.7 t -113.25 113.82 45.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.46 ' O ' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -114.21 141.36 47.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.596 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 44' ' ' ILE . . . 113.36 -21.43 17.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.751 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.53 HG21 ' N ' ' A' ' 64' ' ' ALA . 3.0 mm -66.66 150.24 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.53 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -88.74 131.58 34.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.602 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.44 -20.5 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.53 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.89 -23.03 67.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.735 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.499 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 6.8 m-30 -51.65 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.985 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.64 65.58 2.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.163 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -32.69 -42.81 0.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.874 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -55.67 -55.37 32.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -81.74 -22.79 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 HD22 ' HB3' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -51.78 -66.64 0.35 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.089 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.416 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 7.7 p -79.0 -38.81 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.482 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 5.1 tttm -53.2 -45.23 68.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.833 0.349 . . . . 0.0 110.787 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.85 -30.07 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.626 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.445 ' CD2' ' CD2' ' A' ' 98' ' ' LEU . 10.5 t80 -63.91 -47.11 81.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 27.0 mtmt -67.9 -12.35 60.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.201 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -96.88 -18.42 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.959 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.415 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 5.4 tttm -99.44 -48.5 4.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.441 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 0.6 OUTLIER -110.51 -12.57 14.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.798 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.71 46.13 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 0.0 110.648 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.3 m -112.4 136.27 52.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.946 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.43 95.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.464 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -103.28 131.43 10.62 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.477 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.2 p -139.08 123.46 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 111.547 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 11.6 p -83.37 117.79 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.93 149.4 33.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.757 0.313 . . . . 0.0 111.185 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -86.13 79.92 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.039 0.447 . . . . 0.0 110.479 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.442 ' HB2' ' CG2' ' A' ' 95' ' ' VAL . 2.2 t-80 -57.53 141.08 79.33 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.314 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.63 -17.19 8.75 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.687 2.258 . . . . 0.0 112.505 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -83.15 -23.68 32.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.966 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.403 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.4 m-85 -129.57 -53.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.99 106.95 2.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.63 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 66.73 76.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 0.0 111.51 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 89' ' ' HIS . 35.5 m -138.6 140.52 39.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.434 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -73.46 154.53 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.343 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.2 95.21 4.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.187 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 73.8 mt -85.68 158.16 20.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.405 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.42 141.16 30.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.83 -176.34 54.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -85.17 80.14 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.038 0.447 . . . . 0.0 110.447 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.451 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.2 OUTLIER -98.24 13.13 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.172 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.404 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -46.88 -36.71 7.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 110.967 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.404 ' N ' ' HG2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -91.5 -26.25 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.246 179.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.421 ' HB2' ' HG3' ' A' ' 102' ' ' GLN . 1.4 m-20 -70.28 -47.05 62.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.714 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 tp -61.83 -49.34 84.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.614 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 21.7 t -56.22 -32.96 64.91 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -37.8 62.55 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.59 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 77.3 t80 -68.51 -50.49 51.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.33 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.408 ' CD2' ' HB1' ' A' ' 116' ' ' ALA . 3.3 mp -56.08 -28.94 59.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.632 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 57.5 t -91.97 -30.88 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.939 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.83 -40.82 72.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.44 HD12 ' CE2' ' A' ' 109' ' ' PHE . 8.4 pt -93.18 -14.01 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.586 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.98 33.73 26.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.84 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.471 ' HG ' ' HE2' ' A' ' 67' ' ' TYR . 11.6 tp -79.98 -76.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.645 0.26 . . . . 0.0 111.163 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.408 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -74.54 -163.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.424 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 144.38 49.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.373 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.467 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 1.4 p-10 -55.43 -30.13 59.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -78.38 -21.31 49.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.152 0.501 . . . . 0.0 109.878 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.474 ' HB3' HD11 ' A' ' 44' ' ' ILE . 11.2 mt-30 -100.65 -9.5 21.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.315 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 31.0 mt -55.26 92.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 110.789 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -114.16 87.33 2.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.033 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.8 p -100.47 128.93 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.039 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.526 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 9.8 m-70 -134.66 87.11 2.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.784 0.326 . . . . 0.0 111.59 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.97 117.87 12.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.996 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.454 ' CZ ' ' CB ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.315 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.858 0.361 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.3 130.76 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.4 -38.86 2.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.427 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.3 p -107.69 109.39 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.421 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 2.1 p80 -146.57 36.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -87.03 -39.33 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -124.5 112.28 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.07 -36.15 35.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.9 95.48 9.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.975 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 63.12 125.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.98 91.3 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -150.37 64.2 6.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.0 -20.92 31.91 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.633 2.222 . . . . 0.0 112.372 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.1 mtt -96.58 31.39 2.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -109.71 32.56 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.56 31.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.074 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.3 mt -100.23 159.72 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.289 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -70.48 99.36 1.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.802 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -109.42 95.03 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp 68.47 -69.55 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.79 135.77 33.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.7 -26.42 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.058 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 64.46 123.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.854 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 60.5 94.27 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.11 -30.64 50.92 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.504 2.136 . . . . 0.0 112.152 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -126.41 -47.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.764 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.42 115.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -100.42 -178.2 3.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.85 98.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.9 p -140.43 -54.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -62.65 -56.75 14.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.59 21.48 79.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.623 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -123.51 36.44 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -84.74 56.88 4.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -119.0 124.55 47.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.781 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -110.57 127.84 26.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.0 -166.2 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.405 2.07 . . . . 0.0 112.262 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 67.01 106.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.57 -140.06 4.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.565 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 p -155.08 104.56 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.374 . . . . 0.0 110.746 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 5.5 mt-10 -131.21 57.85 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 60.53 57.79 2.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.307 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.451 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.8 m-30 -89.04 171.41 9.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.022 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.422 HG22 ' CD2' ' A' ' 110' ' ' LEU . 24.2 mm -107.94 97.1 5.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.355 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -71.03 115.89 10.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.941 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.459 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 31.6 mm -74.24 -95.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.387 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 9.9 tpt180 85.74 120.87 0.04 OUTLIER 'General case' 0 C--N 1.344 0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 112.048 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.511 HG22 HD11 ' A' ' 48' ' ' ILE . 11.4 mt -108.41 156.58 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.278 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.5 pt20 -134.81 100.33 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.606 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.439 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 3.0 tt0 -100.75 115.37 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.276 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -100.46 137.33 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 59.54 21.4 9.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.894 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.12 46.91 92.26 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.63 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -175.12 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.691 0.282 . . . . 0.0 111.35 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 68.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.992 0.425 . . . . 0.0 110.76 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.439 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -79.92 138.83 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.99 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mp -145.32 97.82 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.607 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.17 126.46 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.213 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -108.64 155.34 20.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.892 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.429 ' CG2' HG12 ' A' ' 106' ' ' ILE . 55.0 t -123.65 117.83 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.298 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.431 ' HG3' ' CG ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -115.16 140.33 49.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.345 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.0 -40.88 2.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.495 HG21 ' N ' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -48.52 148.02 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-O 120.786 0.326 . . . . 0.0 110.325 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.495 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -90.5 165.36 13.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.062 -178.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.37 -28.2 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.262 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.93 -29.83 70.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.175 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.556 ' CD2' ' CD1' ' A' ' 115' ' ' LEU . 4.0 m-30 -52.77 117.87 3.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.49 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.29 97.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.36 . . . . 0.0 111.042 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -41.64 -56.59 2.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.622 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 22.2 mttp -59.26 -49.16 78.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.402 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -56.1 -16.72 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.57 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -99.12 -63.25 1.14 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.481 0.181 . . . . 0.0 111.312 -179.563 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 74' ' ' LYS . 8.5 p -78.36 -46.44 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.703 0.287 . . . . 0.0 111.224 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -61.69 -43.64 98.46 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.326 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.16 88.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.075 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 18.1 t80 -50.64 -39.65 51.04 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -74.33 -6.61 49.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.32 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -104.31 -22.2 13.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.845 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.29 -43.37 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.373 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -116.86 -14.1 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.687 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 69.45 37.86 1.91 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.6 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.7 t -107.1 157.91 17.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.931 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.99 125.36 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -133.63 146.33 18.27 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.64 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.6 p -143.54 161.43 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.709 0.29 . . . . 0.0 110.852 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.2 p -110.26 107.68 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -111.66 159.91 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 111.347 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -106.68 73.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.045 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -49.11 139.23 13.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.605 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.34 -20.0 11.4 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.56 2.173 . . . . 0.0 112.105 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -80.75 -23.62 39.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -119.67 -50.48 2.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 118.38 -17.17 11.45 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.331 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.3 105.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.918 0.359 . . . . 0.0 111.052 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.427 HG13 ' CG ' ' A' ' 61' ' ' GLN . 15.6 m -152.25 151.77 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -78.1 158.14 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.406 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.6 OUTLIER -132.17 90.68 2.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.839 0.352 . . . . 0.0 111.484 -179.278 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.435 HD12 ' CZ ' ' A' ' 76' ' ' PHE . 13.7 mt -78.04 157.82 29.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.049 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.45 147.05 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 69.27 177.91 17.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.221 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -79.23 95.05 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.48 7.99 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.432 ' HB2' ' CG2' ' A' ' 123' ' ' VAL . 0.0 OUTLIER -48.54 -27.61 2.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 111.184 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -93.25 -24.46 18.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -92.42 -36.26 13.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.268 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.429 HG12 ' CG2' ' A' ' 60' ' ' VAL . 8.0 tp -63.73 -50.79 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.034 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.407 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 0.1 OUTLIER -57.82 -35.15 70.46 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.432 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -31.31 64.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.495 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.453 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 76.6 t80 -71.18 -53.47 14.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.531 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.422 ' CD2' HG22 ' A' ' 44' ' ' ILE . 4.7 mp -55.63 -27.15 48.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.555 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.5 t -90.13 -30.11 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.26 -52.76 12.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.819 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.472 HD13 HD11 ' A' ' 115' ' ' LEU . 11.7 pt -76.52 -13.99 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.61 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.84 30.19 29.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.584 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.556 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 8.3 tp -73.2 -66.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.417 . . . . 0.0 111.061 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.16 170.02 8.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.05 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.53 152.31 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -55.79 -28.36 55.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.701 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.47 -30.82 42.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.248 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.451 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 22.0 mt-30 -74.03 -15.45 61.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.112 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.8 mt -51.94 92.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.068 0.461 . . . . 0.0 111.201 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -112.23 74.06 0.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.692 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 103' ' ' ARG . 10.8 p -91.28 120.95 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.529 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 24.6 m-70 -120.66 -20.2 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.588 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.12 -110.57 1.36 Allowed Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.598 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.452 ' CD2' HG23 ' A' ' 48' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.769 0.319 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -30.23 41.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.73 -126.26 1.8 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m -156.04 77.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.332 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.89 144.56 57.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -112.43 78.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -63.74 152.43 39.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.35 127.15 32.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -94.5 -177.9 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 60.9 76.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.62 -46.92 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -141.55 94.99 7.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -51.13 -27.09 21.1 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.499 2.132 . . . . 0.0 112.293 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -29.68 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.9 p -60.92 -53.96 50.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.015 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.99 88.08 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.307 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.0 mt -100.15 80.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.001 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -131.68 156.23 46.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -126.37 52.65 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 62.06 -80.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.19 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -155.3 158.56 38.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.27 -41.63 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -55.27 129.96 40.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.098 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.36 131.7 0.39 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.787 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.67 -28.92 58.9 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.371 2.047 . . . . 0.0 112.249 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -114.99 43.28 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -170.03 42.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.8 114.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -141.95 42.88 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -167.76 145.0 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.12 86.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.82 63.71 0.47 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.89 84.41 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 62.23 62.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 122.32 15.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.57 150.65 93.45 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.85 -28.72 19.65 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.576 2.184 . . . . 0.0 112.289 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.18 84.73 1.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.26 -57.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.447 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -97.47 -27.8 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.666 0.269 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 2.3 mm-40 61.01 15.71 6.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.522 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 46.51 62.94 2.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.925 0.393 . . . . 0.0 111.247 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.447 ' CE1' ' O ' ' A' ' 40' ' ' THR . 15.7 m-85 -65.33 175.88 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.0 mm -113.13 96.77 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.077 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.34 139.89 56.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.809 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.505 HD13 HG22 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -141.63 107.69 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.544 179.411 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -120.76 154.49 35.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.307 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.487 HG22 HD11 ' A' ' 48' ' ' ILE . 14.6 mt -109.28 156.63 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.442 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.438 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 7.7 pt20 -138.32 88.46 2.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.506 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.5 tt0 -91.43 108.08 19.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.384 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -81.58 120.36 24.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.382 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 66.55 22.07 10.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.753 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.79 25.45 75.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.993 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -142.77 -66.07 0.39 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.843 0.322 . . . . 0.0 111.469 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -59.22 82.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -87.68 138.96 31.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.191 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.515 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.1 mp -141.65 86.59 2.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.8 m -62.26 113.98 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.49 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -99.0 166.62 11.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.784 179.444 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.401 ' CG2' HG12 ' A' ' 106' ' ' ILE . 47.3 t -135.36 129.81 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.405 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.85 141.34 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.29 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.12 -24.01 13.29 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.952 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.517 HG21 ' N ' ' A' ' 64' ' ' ALA . 2.9 mm -69.97 148.17 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 0.0 110.562 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.517 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -92.49 130.14 38.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.461 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -58.33 -21.95 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -61.51 -21.21 64.03 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.818 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.594 ' CE2' ' HG ' ' A' ' 115' ' ' LEU . 7.1 m-30 -52.05 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.731 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -51.55 -26.54 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.093 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.29 -81.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.621 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.8 OUTLIER -56.86 -50.88 71.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 179.498 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -22.05 57.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.802 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' CD1' HD22 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -54.07 -60.51 3.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.403 ' HB ' HD13 ' A' ' 96' ' ' ILE . 12.0 p -85.57 -36.66 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.434 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -44.0 69.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 0.0 110.601 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.71 -30.58 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.465 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CE1' HD11 ' A' ' 106' ' ' ILE . 8.9 t80 -61.96 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.635 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 21.0 mtmt -71.56 -8.97 57.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.248 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -101.54 -19.58 15.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.321 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -99.28 -46.75 5.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.242 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 1.1 m-85 -109.82 -12.84 14.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.553 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 61.56 46.46 7.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.01 0.433 . . . . 0.0 110.66 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 55.9 m -116.02 135.53 53.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.57 95.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.4 ' HA3' ' CG2' ' A' ' 73' ' ' VAL . . . -103.93 137.2 13.4 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.523 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.401 ' O ' HG21 ' A' ' 96' ' ' ILE . 66.1 p -132.0 159.26 39.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.961 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 8.3 p -115.06 83.14 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.4 pt -91.53 156.76 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 111.621 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -110.16 73.96 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.019 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -50.98 132.08 29.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.296 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.47 -15.06 19.93 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.445 2.097 . . . . 0.0 112.153 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.1 OUTLIER -84.69 -23.56 29.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.438 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -125.26 -53.15 1.61 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.002 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.75 -102.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.1 87.7 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.811 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.62 135.81 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.314 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.2 mm -74.84 150.92 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.983 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 1.4 tt0 -124.03 107.24 11.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.926 0.393 . . . . 0.0 111.278 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.515 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 82.0 mt -94.18 158.16 15.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.056 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.95 132.45 41.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.63 174.59 50.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.248 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.57 76.07 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.995 0.426 . . . . 0.0 110.624 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.412 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -88.38 9.03 24.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -28.93 1.21 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.871 0.367 . . . . 0.0 111.166 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -23.37 16.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 108' ' ' GLN . 26.6 m-80 -86.74 -35.31 19.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.734 0.302 . . . . 0.0 111.215 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.505 HG22 HD13 ' A' ' 46' ' ' ILE . 8.0 tp -65.68 -47.72 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.771 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.415 ' N ' HG22 ' A' ' 106' ' ' ILE . 7.4 m -55.81 -31.87 63.04 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 105' ' ' ASN . 8.0 mm100 -69.0 -44.24 73.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.769 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.459 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 60.4 t80 -61.1 -55.96 26.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.25 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 5.8 mp -52.63 -29.23 25.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.038 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.6 t -93.19 -26.92 4.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.207 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.97 -44.25 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.459 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 11.4 pt -87.59 -11.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.67 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.18 36.11 28.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.775 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.594 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 5.3 tp -84.19 -73.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.708 0.29 . . . . 0.0 111.14 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.402 ' HB2' ' HB3' ' A' ' 110' ' ' LEU . . . -83.83 -162.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.495 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 147.84 47.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.683 0.278 . . . . 0.0 110.449 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.407 ' HA ' HD13 ' A' ' 121' ' ' LEU . 27.9 p-10 -58.92 -32.13 69.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.988 0.423 . . . . 0.0 110.393 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -80.4 -27.82 38.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.112 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.44 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 32.8 mt-30 -80.86 -7.75 59.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.163 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 118' ' ' ASP . 62.6 mt -54.37 87.57 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.909 0.385 . . . . 0.0 110.988 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 120' ' ' GLN . 7.2 mmtt -106.33 76.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.98 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.1 p -88.47 117.43 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -116.19 80.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -54.2 118.53 9.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.27 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.238 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mtm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.898 0.38 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -148.36 31.98 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.85 -12.33 43.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.726 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -56.91 -22.46 37.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.622 0.248 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -51.64 -28.59 14.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.762 0.315 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -126.57 69.66 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -100.4 92.93 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.767 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 62.27 73.56 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.3 m80 61.6 -178.54 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -121.08 162.04 20.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.23 115.71 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 80.28 67.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.79 -26.74 31.64 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.628 2.219 . . . . 0.0 112.445 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.6 mtt -77.01 -10.53 59.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.422 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 t -97.76 27.27 4.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.736 0.303 . . . . 0.0 111.074 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.01 66.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.946 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.2 mt -110.48 124.03 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -132.51 30.81 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.743 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -121.42 39.66 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -135.63 29.8 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -134.76 162.16 33.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 m -65.04 148.11 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -162.35 69.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.01 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -156.03 66.52 4.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.58 -24.23 70.04 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.617 2.211 . . . . 0.0 112.128 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -90.32 -32.14 16.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.77 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.67 95.72 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.1 t0 62.75 85.53 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.92 50.02 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.0 m -59.37 173.85 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -130.08 37.0 3.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.74 132.18 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -134.97 -57.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.62 30.8 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tp -91.02 85.55 5.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 146.57 93.15 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.01 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.571 2.181 . . . . 0.0 112.439 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.73 92.54 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.015 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -118.38 51.08 0.77 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.621 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.475 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 4.9 p -163.84 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 110.987 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.72 13.79 7.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.517 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.98 59.13 4.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.006 0.431 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 40' ' ' THR . 21.6 m-30 -62.27 163.74 7.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.163 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.4 mm -114.74 99.89 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.372 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -72.05 124.41 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.126 -178.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.486 ' HB ' ' HA ' ' A' ' 123' ' ' VAL . 22.3 mm -86.0 -97.24 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.869 178.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.96 137.58 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.399 0.619 . . . . 0.0 112.462 178.483 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.422 ' CG2' ' CG2' ' A' ' 56' ' ' THR . 5.7 mt -117.34 155.25 19.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.285 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 3.6 pt20 -140.55 98.11 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.067 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 0.5 OUTLIER -97.05 105.42 17.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.611 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -59.49 -80.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.556 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -91.85 47.48 1.36 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.256 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.71 26.09 23.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.369 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.16 -39.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.677 0.275 . . . . 0.0 110.972 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 62.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.049 0.452 . . . . 0.0 110.331 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.427 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -69.4 139.71 54.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.827 -179.662 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 5.4 mt -142.99 91.5 2.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.9 m -64.51 140.9 58.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.001 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -119.76 157.48 28.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.017 0.437 . . . . 0.0 111.166 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.434 ' CG2' HG12 ' A' ' 106' ' ' ILE . 49.0 t -128.92 113.77 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.167 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -115.94 144.27 44.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.549 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.93 -26.43 12.54 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.046 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.504 HG21 ' CD2' ' A' ' 67' ' ' TYR . 5.2 mm -64.18 147.94 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.444 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -87.45 132.22 34.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.523 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.89 -20.71 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.589 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -24.43 67.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.759 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 63' ' ' ILE . 5.9 m-30 -52.34 -178.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.976 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -91.84 88.68 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.429 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -43.89 -34.41 1.63 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.348 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -79.72 -42.62 24.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -77.9 6.01 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.698 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.438 ' CD2' ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -110.48 -65.09 1.19 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.702 0.286 . . . . 0.0 111.01 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 74' ' ' LYS . 3.3 p -79.33 -44.28 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.8 ttpt -64.63 -44.83 89.25 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.8 99.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.684 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 18.6 t80 -49.12 -40.77 33.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.559 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 3.8 mtmt -71.51 -10.04 59.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.539 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -102.89 -19.03 14.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.681 0.277 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.48 -36.86 11.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.426 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -118.56 -18.63 9.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 74.9 34.25 0.7 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.842 0.354 . . . . 0.0 110.999 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.64 178.16 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.801 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.86 128.04 54.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -125.43 144.88 15.42 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.859 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -125.52 160.83 28.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.32 . . . . 0.0 110.944 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.5 p -116.54 71.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.96 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -83.12 148.37 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.548 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -103.96 76.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.974 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -51.85 130.17 38.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.276 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.41 -15.15 22.45 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.4 2.066 . . . . 0.0 112.27 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 1.6 tm-20 -83.92 -24.62 30.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -125.8 -52.16 1.57 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.363 . . . . 0.0 111.052 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.51 -111.29 0.63 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.245 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -105.63 92.73 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.6 m -121.28 137.97 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -74.65 157.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.579 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.423 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -131.39 97.9 4.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.756 0.312 . . . . 0.0 111.201 -179.357 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 9.7 mt -85.05 156.45 21.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.237 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.95 143.92 26.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.212 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.43 175.02 36.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.714 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -76.2 79.39 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.687 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.403 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -93.56 12.65 24.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.166 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -27.46 8.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 0.0 110.73 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.33 -22.3 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.913 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -83.71 -34.22 24.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.434 HG12 ' CG2' ' A' ' 60' ' ' VAL . 9.7 tp -67.13 -49.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.656 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.1 t -50.77 -33.27 22.62 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -43.53 64.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.934 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.428 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 35.7 t80 -62.26 -49.39 75.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.813 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.2 mp -56.82 -29.56 62.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.84 -25.1 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.189 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.72 -40.73 47.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.428 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 6.6 pt -96.65 -1.32 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.535 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.78 33.04 66.52 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.901 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.499 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 6.7 tp -74.81 -72.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.944 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -89.85 -165.57 1.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.526 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.14 147.06 49.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.309 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 3.4 p30 -53.76 -29.44 39.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 111.046 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.47 -23.08 40.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.3 -8.86 49.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.437 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 88.6 mt -52.76 93.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.042 0.449 . . . . 0.0 110.832 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -114.7 84.06 2.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.976 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.486 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 13.3 p -96.41 123.71 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.304 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 14.4 m-70 -129.03 80.98 2.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.466 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.02 121.66 25.36 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.035 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.302 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.894 0.378 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.2 ttt85 -121.3 46.32 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.18 -141.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.9 p -169.85 38.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -113.27 -33.98 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -104.62 112.25 25.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -67.23 79.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -152.9 33.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -80.15 101.5 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -70.85 143.89 50.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -63.74 -45.29 90.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -136.75 81.56 34.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.72 -25.93 23.62 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.577 2.185 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.7 mtm -58.07 -22.13 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.5 t -54.66 -29.79 53.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.072 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.81 84.82 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -90.74 59.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -98.53 149.68 22.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -165.5 39.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.31 -49.18 78.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.99 121.68 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.15 47.15 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 35.7 t80 63.17 139.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -63.96 111.28 5.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -57.87 -27.39 78.36 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.51 2.14 . . . . 0.0 112.247 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -110.9 -62.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.44 45.01 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -137.64 105.32 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 61.27 31.99 19.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.62 -35.31 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -116.69 -47.34 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.0 98.8 1.2 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.536 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -100.59 38.92 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 t0 62.64 82.66 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 mt -105.32 98.32 8.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.32 132.15 92.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.1 123.03 8.54 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.457 2.105 . . . . 0.0 112.275 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -161.29 108.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.273 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.15 74.52 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.403 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.424 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 62.2 p -110.4 -20.66 12.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.707 0.289 . . . . 0.0 111.288 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER 66.22 13.79 9.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.408 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 54.53 62.48 2.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.054 0.454 . . . . 0.0 110.951 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 41' ' ' GLU . 21.9 m-30 -69.92 163.22 26.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.42 ' CD1' ' HA3' ' A' ' 62' ' ' GLY . 43.7 mm -111.56 103.01 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.33 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -79.83 115.7 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.361 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 26.0 mm -73.17 -94.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.335 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 86.46 126.76 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 112.262 178.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 49' ' ' GLN . 5.9 mt -108.39 158.59 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.067 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.458 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 8.3 pt20 -142.36 102.16 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.936 0.398 . . . . 0.0 110.611 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.457 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 1.4 tt0 -104.02 123.07 46.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.453 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -87.58 117.33 26.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.256 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t30 64.2 21.19 12.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.58 39.5 60.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.972 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 31.0 mtp85 -152.33 -65.5 0.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.83 0.315 . . . . 0.0 111.512 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -63.51 76.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 0.0 110.837 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.457 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -78.87 142.26 36.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.224 -179.649 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.41 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.5 mp -146.73 97.62 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.1 m -72.49 125.35 27.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -106.35 159.03 16.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.988 0.423 . . . . 0.0 111.259 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.41 ' CG2' HG12 ' A' ' 106' ' ' ILE . 92.6 t -125.63 122.27 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.874 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.44 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -120.93 139.66 52.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.01 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' HA3' ' CD1' ' A' ' 44' ' ' ILE . . . 111.23 -26.25 12.52 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.35 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.492 HG21 ' CD2' ' A' ' 67' ' ' TYR . 5.7 mm -66.42 146.11 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 111.058 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.464 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -88.54 133.31 34.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.566 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.64 -20.4 60.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.612 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.28 -22.72 67.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.492 ' CD2' HG21 ' A' ' 63' ' ' ILE . 6.3 m-30 -52.8 -177.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.73 89.53 7.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -43.95 -32.11 1.05 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.444 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 11.6 mtmm -78.12 -53.48 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -66.59 -3.01 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.946 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -102.46 -75.76 0.59 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.717 0.294 . . . . 0.0 111.451 -179.695 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.421 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 2.6 p -75.63 -42.88 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.129 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -62.5 -45.34 93.46 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.079 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.82 92.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.016 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.419 ' CZ ' HD12 ' A' ' 98' ' ' LEU . 15.5 t80 -46.57 -48.43 19.58 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.041 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.1 mtpp -64.52 -15.04 60.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.665 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.07 -19.73 17.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.775 0.321 . . . . 0.0 111.322 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.43 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 2.4 tttp -97.94 -34.13 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.617 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 19.1 m-85 -115.84 -17.15 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 71.44 31.39 2.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.94 0.4 . . . . 0.0 110.621 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 57.3 m -105.59 178.67 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.0 117.53 34.45 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -114.97 133.47 11.03 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.861 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.9 p -121.43 169.7 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' A' ' 86' ' ' VAL . 10.0 p -118.88 78.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.22 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pt -84.61 153.16 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.472 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -106.48 71.88 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.066 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -47.52 140.17 7.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.463 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.22 -22.57 9.64 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.54 2.16 . . . . 0.0 111.982 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -79.33 -23.85 43.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.987 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.439 ' CG ' ' HG3' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -117.45 -49.21 2.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 112.95 -18.61 21.63 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.705 -0.76 . . . . 0.0 113.012 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -176.49 110.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.784 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.44 HG13 ' CG ' ' A' ' 61' ' ' GLN . 16.5 m -154.78 147.3 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.362 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -77.66 155.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.404 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 0.9 OUTLIER -129.34 96.17 4.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.715 0.293 . . . . 0.0 111.497 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.424 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 7.1 mt -82.27 157.84 23.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.156 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.57 143.0 26.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.774 0.321 . . . . 0.0 111.022 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.62 172.99 39.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.354 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -77.31 79.12 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.42 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -89.1 11.31 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.777 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.445 ' CG ' ' CG2' ' A' ' 123' ' ' VAL . 4.5 ttt-85 -45.73 -30.72 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -100.16 -22.13 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.206 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -85.33 -36.27 20.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.354 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.41 HG12 ' CG2' ' A' ' 60' ' ' VAL . 8.9 tp -65.27 -49.41 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.253 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 28.8 p -53.57 -32.36 50.59 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.408 0.623 . . . . 0.0 109.411 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -44.12 68.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.881 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 40.7 t80 -61.43 -47.96 83.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.24 -28.91 65.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 50.8 t -95.32 -24.99 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.29 -39.86 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.111 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.426 HD12 ' CE2' ' A' ' 109' ' ' PHE . 5.8 pt -96.67 -1.21 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.5 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.41 31.27 63.51 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.939 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.485 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 5.8 tp -76.02 -71.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.85 166.56 12.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.455 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 150.38 22.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.4 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.5 p-10 -55.31 -28.35 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.77 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.68 -21.04 45.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.36 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 122' ' ' LYS . 11.8 mt-30 -94.05 -3.66 50.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 24.9 mt -58.25 78.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.925 0.393 . . . . 0.0 111.314 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.1 mmtt -101.5 73.07 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.938 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.445 ' CG2' ' CG ' ' A' ' 103' ' ' ARG . 6.4 p -89.51 128.32 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.817 -178.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 11.3 m-70 -137.82 139.85 40.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.95 129.45 8.93 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.165 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.545 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.815 0.341 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 59.72 31.06 20.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.32 -49.73 7.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.0 p -174.07 122.15 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.98 31.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -173.03 73.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.62 -38.42 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -177.18 74.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.07 94.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -158.23 59.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.0 p -59.54 104.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -93.42 131.97 31.41 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.34 -30.36 62.44 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.432 2.088 . . . . 0.0 112.233 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.2 mmt -59.44 -27.52 66.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.8 t -55.26 -35.46 65.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.033 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.36 92.25 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.8 mt -102.68 83.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -63.22 166.99 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -131.0 91.27 3.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp 61.77 157.39 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 63.98 42.57 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 p -95.79 -33.62 12.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.75 112.46 23.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.46 65.42 2.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.79 -34.91 81.64 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.588 2.192 . . . . 0.0 112.308 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -117.5 -56.93 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -178.03 130.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -105.89 115.14 29.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.54 -175.51 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -120.36 -69.76 0.83 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.51 114.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.61 -178.31 27.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.535 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -145.01 67.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.5 83.49 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.76 96.18 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -68.3 145.41 97.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.92 157.75 54.17 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.497 2.132 . . . . 0.0 112.351 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.57 145.49 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.36 -140.68 6.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.424 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -117.0 -28.82 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.644 0.259 . . . . 0.0 111.251 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 5.7 mt-10 65.3 15.03 9.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.289 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.83 63.02 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.967 0.413 . . . . 0.0 110.854 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 120' ' ' GLN . 21.9 m-30 -73.26 161.22 30.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.017 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.42 HG12 ' HB3' ' A' ' 120' ' ' GLN . 30.2 mm -113.31 93.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.181 0.515 . . . . 0.0 110.274 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -66.33 116.28 7.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.425 -178.839 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 26.9 mm -79.51 -96.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.862 178.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.15 134.89 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.41 0.624 . . . . 0.0 112.371 178.577 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.43 HG21 ' CG2' ' A' ' 56' ' ' THR . 3.4 mt -116.77 154.44 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.876 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.9 pt20 -143.49 99.27 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 111.152 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.471 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.4 tt0 -100.19 99.14 9.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.743 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -54.61 44.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.452 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.1 -151.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.747 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.43 34.29 4.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.302 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.6 OUTLIER 177.07 -27.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 67.73 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.079 0.466 . . . . 0.0 110.686 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -86.49 151.15 23.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.044 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 6.1 mt -145.92 81.28 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.6 m -60.09 137.66 58.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -121.19 156.81 31.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.018 0.437 . . . . 0.0 111.389 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.487 ' CG2' HG12 ' A' ' 106' ' ' ILE . 84.6 t -124.48 120.97 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.048 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -119.78 146.31 45.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.64 179.763 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.93 -23.52 30.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.252 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.515 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -72.76 146.2 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.436 . . . . 0.0 111.08 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -80.55 139.07 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.977 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -65.63 -14.05 60.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -95.66 30.43 2.32 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.722 0.296 . . . . 0.0 111.35 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.515 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 3.5 m-30 -89.28 24.79 2.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.364 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 4.6 t70 82.21 -16.9 0.57 Allowed 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 63.74 -76.35 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.68 0.276 . . . . 0.0 111.447 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 7.0 pttm -50.34 -47.0 56.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 111.352 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -12.67 5.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.6 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -98.68 -67.89 0.83 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.64 0.257 . . . . 0.0 111.385 -179.494 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 74' ' ' LYS . 4.4 p -78.75 -45.79 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.212 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 1.8 ttmt -61.96 -43.74 98.21 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.56 91.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.235 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 11.7 t80 -45.95 -52.06 12.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.813 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 14.3 mtmt -61.72 -22.31 65.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -17.79 49.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.857 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 35.4 tttp -104.43 -45.32 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.576 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 0.5 OUTLIER -115.17 -16.77 11.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.771 -179.357 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 67.01 38.5 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.652 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.93 136.18 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.51 109.46 1.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -112.97 136.7 13.66 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.484 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.2 p -133.47 122.06 23.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.165 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 8.0 p -77.32 95.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -96.39 150.73 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.298 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -100.83 71.22 1.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.094 0.473 . . . . 0.0 110.226 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -46.72 138.62 6.88 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.456 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -77.74 -20.47 11.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.53 2.154 . . . . 0.0 112.094 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -82.28 -23.97 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -116.64 -50.52 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.984 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 115.2 -19.48 15.0 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.711 -0.756 . . . . 0.0 113.239 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.36 107.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.815 0.307 . . . . 0.0 111.029 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.412 HG13 ' CG ' ' A' ' 61' ' ' GLN . 12.6 m -152.54 145.4 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -77.09 157.6 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.162 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.411 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -134.08 97.69 3.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 0.0 111.279 -179.351 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 17.3 mt -85.18 157.85 20.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.188 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -95.15 135.1 37.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.19 165.79 34.95 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.24 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 5.3 p-10 -66.09 96.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.76 4.92 22.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.065 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -47.77 -27.62 2.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.785 0.326 . . . . 0.0 111.226 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -94.29 -26.41 16.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -86.83 -41.16 14.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.487 HG12 ' CG2' ' A' ' 60' ' ' VAL . 8.1 tp -60.16 -49.9 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 82.6 m -57.67 -34.04 68.97 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.31 -32.4 66.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.512 178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.452 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 79.0 t80 -74.42 -45.22 47.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.458 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.1 mp -57.89 -29.33 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.837 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.6 t -92.65 -28.65 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.84 -43.19 65.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 9.4 pt -87.56 -24.9 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.329 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.2 30.07 8.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.789 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.501 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 3.8 tp -79.1 -71.82 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.44 -164.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.709 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.42 153.71 40.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.66 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.431 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 12.5 t0 -55.62 -24.26 32.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.709 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.421 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 53.9 m-20 -77.28 -21.5 53.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 109.824 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.44 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 10.3 mt-30 -106.68 -11.03 15.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.132 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.431 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 14.4 mt -51.02 93.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.414 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 3.1 mmtt -112.34 80.23 1.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.2 p -92.13 113.75 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 33.9 m-70 -114.31 -26.19 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.41 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 51.71 -108.73 0.66 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.428 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.971 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ttm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.894 0.378 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -124.64 29.62 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -160.85 27.31 0.3 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.0 m 58.76 77.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.2 m170 63.42 -79.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -156.02 130.8 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.814 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -145.27 101.36 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -143.54 -69.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -163.67 52.61 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -140.76 98.78 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.7 p -68.14 122.6 18.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -102.75 97.4 9.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.066 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.79 -0.65 8.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 112.291 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.447 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 0.1 OUTLIER 55.2 38.11 29.92 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -178.676 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 52.87 29.08 7.21 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.18 15.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.973 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.447 ' CG1' ' O ' ' A' ' 14' ' ' MET . 10.3 mt -72.5 116.4 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.825 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -117.9 -167.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -101.23 34.81 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.025 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -120.76 -85.25 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.46 100.23 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.801 0.334 . . . . 0.0 111.217 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m 75.75 -58.59 0.55 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -45.69 133.99 7.71 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.282 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -93.77 124.42 56.79 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.18 -41.85 62.95 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.35 2.034 . . . . 0.0 112.242 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -125.88 29.27 5.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.014 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.55 117.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -162.05 143.45 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 114.78 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.54 59.42 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -127.43 95.72 4.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.798 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.24 39.94 1.62 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.621 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 t0 59.2 55.61 4.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -145.25 37.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 tp -110.58 67.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.79 150.07 38.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.03 149.33 27.34 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.58 2.187 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.28 82.6 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.49 48.59 0.31 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.423 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -104.87 -28.81 10.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 2.7 mt-10 65.8 9.69 6.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.65 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 55.0 61.54 2.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 40' ' ' THR . 19.9 m-30 -56.41 162.72 2.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.255 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' HB3' ' A' ' 116' ' ' ALA . 44.2 mm -115.11 102.31 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.37 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.515 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -73.33 129.52 38.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.104 -179.001 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' A' ' 123' ' ' VAL . 23.5 mm -91.66 -98.01 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.947 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 2.8 ttt85 86.12 134.86 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.305 0.574 . . . . 0.0 112.423 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.499 HD11 HG22 ' A' ' 48' ' ' ILE . 17.0 mt -114.9 155.58 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.425 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.6 pt20 -138.67 94.23 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.489 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 2.1 tt0 -93.59 116.88 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.245 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -95.55 125.14 39.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.405 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 66.39 21.82 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.22 44.02 96.2 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.719 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -167.74 -45.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.0 111.323 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -70.37 65.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 110.674 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.45 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -73.98 135.41 43.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.079 -179.744 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.2 mt -142.63 110.33 5.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.61 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -89.83 118.61 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 110.97 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -101.1 161.68 13.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.951 0.405 . . . . 0.0 111.296 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.438 ' CG2' HG12 ' A' ' 106' ' ' ILE . 45.7 t -129.48 117.58 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -116.31 142.91 46.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.392 179.662 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.07 -29.84 7.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.0 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.5 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 8.5 mm -57.84 144.67 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.936 0.398 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.403 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -80.62 137.53 36.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.574 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -17.15 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.795 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.52 -26.45 64.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.947 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.5 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 5.2 m-30 -47.67 166.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -82.01 70.41 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.144 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -35.75 -46.23 0.43 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.865 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 7.3 mmtp -55.92 -54.82 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -4.19 57.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.408 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.417 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 2.8 tt -71.87 -64.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.784 0.326 . . . . 0.0 110.714 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.79 -35.94 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.557 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 4.8 tptt -52.85 -43.61 66.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.22 -31.72 73.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CZ ' HD12 ' A' ' 98' ' ' LEU . 8.9 t80 -59.78 -42.73 94.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -8.73 56.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.253 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -103.79 -19.56 14.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 111.056 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -97.0 -42.89 7.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.336 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 3.7 m-85 -111.74 -15.69 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.608 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 68.13 37.59 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.815 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.8 m -108.66 169.16 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -92.01 110.47 21.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.772 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -116.65 139.89 15.55 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.747 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.0 p -135.34 168.71 18.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.4 p -117.9 118.06 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.5 pt -124.56 148.22 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.304 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -102.84 74.25 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.6 t-80 -59.79 138.07 90.21 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.012 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.64 -20.03 9.58 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.6 2.2 . . . . 0.0 112.277 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -79.73 -23.71 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.474 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -124.22 -50.39 1.79 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.962 -179.677 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.84 106.65 2.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.685 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 55.17 83.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.768 0.318 . . . . 0.0 111.213 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.5 m -131.77 131.51 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -70.29 157.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.078 179.587 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.418 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 1.1 tt0 -132.79 105.88 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.367 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.46 HD12 ' CZ ' ' A' ' 76' ' ' PHE . 9.1 mt -92.02 156.99 17.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.159 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.29 141.86 29.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.79 0.328 . . . . 0.0 110.802 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.03 175.44 48.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.101 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.94 87.32 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.983 0.42 . . . . 0.0 110.756 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.21 13.11 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.057 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.8 ptt85 -52.01 -25.34 8.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.846 0.355 . . . . 0.0 111.049 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.57 -20.62 13.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -88.04 -34.49 17.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.438 HG12 ' CG2' ' A' ' 60' ' ' VAL . 8.1 tp -64.82 -50.04 77.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.351 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.1 p -53.49 -33.28 53.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.44 0.638 . . . . 0.0 109.413 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -47.27 65.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.986 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.442 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 61.8 t80 -59.18 -51.01 71.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.192 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 5.2 mp -55.56 -29.34 58.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.23 -24.89 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.274 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.55 -42.08 30.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.115 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.442 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 12.2 pt -88.75 -22.01 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.328 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.27 35.57 6.24 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.726 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.491 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 4.6 tp -84.48 -71.3 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.805 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.428 ' HB2' ' HB3' ' A' ' 110' ' ' LEU . . . -90.42 -164.44 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 152.62 46.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -59.47 -28.9 67.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.651 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.23 -28.28 34.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.365 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 14.9 mt-30 -83.59 -6.37 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.23 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.4 mt -52.88 92.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.038 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.55 83.76 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.479 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 14.9 p -97.08 125.44 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.303 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.515 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 14.0 m-70 -128.35 77.57 1.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.309 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.04 120.96 25.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.39 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.423 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.865 0.365 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -121.63 100.56 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.24 -157.02 2.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.603 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.8 m -75.11 -64.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.6 t60 63.4 123.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -173.34 105.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.998 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -157.01 26.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -88.22 107.15 18.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -126.66 -50.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -95.81 -36.43 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 m -110.86 119.87 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.23 149.7 66.73 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.07 -32.98 71.7 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.625 2.217 . . . . 0.0 112.243 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -78.48 -30.44 47.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -58.49 -36.21 73.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.46 90.84 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.8 mt -102.4 113.24 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -147.99 59.82 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -95.33 -15.77 22.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.6 mt -51.36 -47.65 62.72 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 0.0 111.229 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -77.46 132.55 38.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -176.91 80.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -71.69 130.0 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -59.6 153.23 52.32 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.04 -26.81 33.74 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.525 2.15 . . . . 0.0 112.256 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.65 32.38 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.68 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.56 68.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.87 -43.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.06 112.57 0.54 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.41 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.42 -168.88 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -71.57 -67.98 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.48 62.42 1.43 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -150.9 43.13 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.65 72.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.26 78.15 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 mt 62.9 122.67 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.93 88.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.482 2.121 . . . . 0.0 112.263 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 63.17 128.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.89 -116.21 0.89 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -171.72 -37.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.762 0.315 . . . . 0.0 111.125 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.49 11.4 8.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.508 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.87 60.13 4.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.008 0.432 . . . . 0.0 110.991 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 40' ' ' THR . 22.0 m-30 -60.81 161.09 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.137 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.431 HG13 ' HB3' ' A' ' 116' ' ' ALA . 38.6 mm -111.11 92.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.137 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.551 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -67.2 113.95 5.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.363 -178.847 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.476 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 28.1 mm -77.64 -96.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.999 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 4.9 ttt180 86.15 135.16 0.05 OUTLIER 'General case' 0 C--N 1.344 0.329 0 CA-C-O 121.189 0.519 . . . . 0.0 112.162 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.439 HD11 HG22 ' A' ' 48' ' ' ILE . 6.1 mt -113.75 154.36 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.011 179.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.0 OUTLIER -137.9 103.23 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 111.207 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -105.29 101.34 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.506 179.702 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.16 -80.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.614 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -92.6 44.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.868 0.366 . . . . 0.0 111.196 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.29 24.64 52.36 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.291 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -150.59 -46.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -70.93 66.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.03 0.443 . . . . 0.0 110.483 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.457 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -73.2 139.58 46.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.047 -179.624 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.454 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 2.1 mp -142.45 97.78 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.739 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 117.97 14.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -98.19 152.24 19.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.748 179.578 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 106' ' ' ILE . 67.5 t -121.13 117.91 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.958 0.409 . . . . 0.0 110.784 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.66 152.65 32.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.825 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.28 -30.25 10.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.939 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 67' ' ' TYR . 3.7 mm -60.9 148.42 9.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.929 0.395 . . . . 0.0 111.022 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.426 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -88.25 133.25 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.429 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -58.28 -22.18 51.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.595 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.17 -27.39 67.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.525 ' CD2' ' CD1' ' A' ' 115' ' ' LEU . 4.3 m-30 -53.22 -177.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.687 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -95.77 80.52 3.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.976 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -38.45 -56.43 1.26 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.991 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -47.79 81.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.065 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -61.48 -38.54 87.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.517 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -56.93 -54.53 45.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.541 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 t -73.97 -44.75 50.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.237 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -55.89 -44.89 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.092 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.86 73.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.103 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.484 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 19.4 t80 -49.2 -55.96 10.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.031 0.443 . . . . 0.0 110.785 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 16.1 mtmt -59.64 -18.93 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.446 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.73 -19.2 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.672 0.272 . . . . 0.0 111.514 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HD3' ' CE2' ' A' ' 80' ' ' PHE . 3.9 tmtm? -95.4 -36.7 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.421 ' CE2' ' HD3' ' A' ' 79' ' ' LYS . 2.8 m-85 -119.39 -13.88 9.23 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 74.16 27.53 1.53 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 73.4 m -89.95 -170.6 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.717 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.5 OUTLIER -115.73 113.35 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.84 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.76 139.56 14.66 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.409 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -150.05 122.48 8.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.516 ' HA ' HD13 ' A' ' 96' ' ' ILE . 11.5 p -78.71 144.87 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.287 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pp -156.62 158.25 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -105.76 77.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.183 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.7 t-80 -55.97 131.84 73.74 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.396 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -77.41 -13.85 16.51 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.555 2.17 . . . . 0.0 112.148 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.53 -23.58 29.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.409 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.0 m-85 -128.15 -54.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.88 107.66 3.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.774 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.18 88.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.437 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.8 m -146.04 148.61 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 86' ' ' VAL . 0.5 OUTLIER -84.6 130.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.088 0.47 . . . . 0.0 110.679 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.44 106.67 17.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.039 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 3.3 mp -89.78 165.61 14.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.589 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.404 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 5.9 tm0? -104.84 139.52 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.855 0.36 . . . . 0.0 111.01 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.19 -179.29 42.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.25 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.406 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 7.7 p-10 -79.35 88.78 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.4 . . . . 0.0 110.611 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.413 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -104.73 5.29 33.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.937 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.83 -28.03 2.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -93.48 -23.64 18.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -89.63 -34.43 16.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.69 0.281 . . . . 0.0 111.165 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.457 HG12 ' CG2' ' A' ' 60' ' ' VAL . 9.4 tp -64.91 -51.44 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.995 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.6 p -54.97 -34.81 63.66 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -34.93 65.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.559 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.464 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 80.6 t80 -71.76 -47.67 52.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 4.9 mp -56.94 -29.51 63.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.752 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 51.8 t -92.08 -28.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.43 -44.61 57.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.464 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 10.3 pt -86.01 -24.32 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.459 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.98 32.46 7.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.659 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 7.2 tp -79.82 -67.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.761 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.431 ' HB3' HG13 ' A' ' 44' ' ' ILE . . . -94.3 -165.38 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.52 145.16 51.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.506 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.403 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.3 p-10 -51.98 -27.58 13.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.026 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -80.5 -26.3 38.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.519 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.412 ' HB3' HG12 ' A' ' 44' ' ' ILE . 16.8 mt-30 -89.21 -4.29 58.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.403 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 42.5 mt -53.87 90.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.123 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.443 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 2.8 mmtt -112.02 79.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.678 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.407 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 11.9 p -92.5 117.72 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.332 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.551 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 16.8 m-70 -123.81 81.34 1.9 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.441 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.02 121.28 25.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.055 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.473 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.325 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.778 0.323 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.53 -52.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.91 51.65 3.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.53 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.2 t -65.1 144.96 56.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -89.19 -34.57 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -162.71 179.96 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.38 110.86 21.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -67.99 -37.14 81.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -147.03 113.4 5.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -118.32 132.17 56.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -166.64 -71.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 29.5 p-10 -163.46 99.53 0.99 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.788 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.98 60.94 8.07 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.538 2.159 . . . . 0.0 112.668 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.43 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER 52.44 18.12 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.446 -179.676 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -136.3 14.86 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.637 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HB1' ' HA ' ' A' ' 12' ' ' ASP . . . -134.8 21.99 3.57 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.343 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 14' ' ' MET . 1.1 mp -82.6 142.52 13.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.04 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -77.86 131.4 37.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -133.46 106.25 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -86.2 -40.72 15.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.7 177.84 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -111.37 85.02 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -90.87 129.94 36.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 59.89 78.01 0.35 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.2 -28.53 52.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.597 2.198 . . . . 0.0 112.344 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -104.83 -40.54 5.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.68 76.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -60.67 126.43 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.17 32.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -169.41 110.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.82 107.64 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.62 -149.1 6.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -142.66 -49.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.59 -68.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.69 -176.74 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 2.0 mm? -107.91 132.41 21.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.786 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.89 -67.35 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.388 2.058 . . . . 0.0 112.269 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.5 70.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.06 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.72 -113.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.547 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 2.1 p -164.28 -41.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.697 0.284 . . . . 0.0 110.972 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CB ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 62.57 15.88 8.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.418 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.67 61.95 2.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.151 0.5 . . . . 0.0 111.017 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 40' ' ' THR . 17.1 m-85 -66.04 176.87 1.52 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.041 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.422 HG12 ' NE2' ' A' ' 120' ' ' GLN . 23.7 mm -117.36 101.5 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.14 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.502 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -68.9 128.99 38.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.733 -179.205 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.446 HD13 HG22 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -124.49 106.2 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.321 179.004 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.46 165.68 11.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.459 -178.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.562 ' CG2' ' CD2' ' A' ' 126' ' ' PHE . 2.1 tt -136.25 141.9 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.721 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 56' ' ' THR . 0.7 OUTLIER -129.12 91.42 3.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.748 0.309 . . . . 0.0 111.449 -179.578 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.532 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 14.1 tt0 -94.02 98.91 11.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.1 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.98 138.52 31.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.609 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.7 t30 61.79 22.42 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.995 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.17 42.06 99.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.491 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 12.4 ptm180 -175.01 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.715 0.293 . . . . 0.0 111.269 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -68.53 70.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -86.72 143.55 27.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.387 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -147.44 88.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.353 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.0 m -63.44 126.27 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.669 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -112.5 161.22 16.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.839 179.388 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.41 HG21 HD11 ' A' ' 46' ' ' ILE . 44.9 t -131.06 126.06 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.223 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.428 ' OE1' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -123.24 143.59 49.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.482 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.71 -27.22 12.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.119 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.53 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 2.9 mm -61.65 145.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.976 0.417 . . . . 0.0 110.966 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.466 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -79.87 144.71 33.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.093 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.41 -9.2 57.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.244 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -94.59 25.09 4.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.275 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.53 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 5.6 m-30 -89.25 25.57 1.86 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.289 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 3.1 t0 80.46 -15.01 0.78 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.763 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 62.36 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 111.124 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -53.26 -67.32 0.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.191 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -48.0 -27.16 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.377 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 1.5 tt -62.09 -68.93 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.412 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 10.7 p -82.38 -40.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.62 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -47.63 -42.95 25.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.075 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.43 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -60.45 -46.66 89.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.9 mtpt -70.1 -9.76 56.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.307 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.55 -21.39 13.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.704 0.288 . . . . 0.0 110.965 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 tmtm? -95.07 -37.61 11.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.403 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.449 ' CZ ' ' CD ' ' A' ' 79' ' ' LYS . 7.7 m-85 -114.92 -18.08 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.551 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 73.26 32.37 1.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.972 0.415 . . . . 0.0 110.771 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.9 m -105.04 -177.49 3.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.638 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -107.73 116.14 31.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 109.985 179.724 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.412 ' HA3' ' CG2' ' A' ' 73' ' ' VAL . . . -123.66 131.1 7.93 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.361 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.2 p -125.27 168.34 13.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.906 0.384 . . . . 0.0 111.248 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.6 p -118.01 107.96 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.781 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.1 pt -115.16 151.72 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.429 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -101.9 71.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.561 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -55.68 136.22 71.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.134 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.97 -18.42 13.05 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.531 2.154 . . . . 0.0 112.165 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -81.16 -23.56 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.443 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -123.46 -51.23 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.076 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.67 99.6 2.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 62.09 88.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.6 m -140.57 137.36 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.4 mm -73.13 155.83 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.131 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.434 ' CG ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -132.48 103.56 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.799 0.333 . . . . 0.0 111.509 -179.296 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 3.2 mt -90.56 156.36 18.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.91 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.98 147.79 24.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.788 0.327 . . . . 0.0 111.014 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.47 169.42 1.86 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.172 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.423 ' HA ' HD13 ' A' ' 48' ' ' ILE . 5.4 p-10 -72.64 97.46 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.745 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.402 ' O ' HG21 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -104.3 14.3 30.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.932 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -44.91 -32.87 1.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 0.0 111.426 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -93.81 -22.71 18.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -88.7 -38.22 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.044 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.446 HG22 HD13 ' A' ' 46' ' ' ILE . 6.8 tp -67.94 -50.51 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.621 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.402 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 8.4 m -59.53 -32.73 70.58 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -73.58 -33.06 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.422 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.45 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 70.6 t80 -72.62 -45.1 60.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.323 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mp -58.8 -29.46 66.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.701 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.6 t -91.58 -30.63 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.57 -44.63 70.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.826 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.45 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 6.4 pt -89.14 -17.0 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.451 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.89 32.34 21.38 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.581 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 4.6 tp -76.74 -72.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 111.067 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.31 -168.49 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.473 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 149.24 52.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.637 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.443 ' HA ' HD13 ' A' ' 121' ' ' LEU . 1.9 t70 -58.23 -28.21 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.333 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 1.9 m-20 -76.65 -19.55 57.65 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.422 ' NE2' HG12 ' A' ' 44' ' ' ILE . 29.3 mt-30 -103.35 -12.67 17.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.061 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 118' ' ' ASP . 17.8 mt -50.63 92.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.004 0.43 . . . . 0.0 111.146 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -114.83 84.05 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.8 p -89.9 124.05 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 111.755 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.502 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 42.4 m-70 -131.83 84.48 2.17 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.817 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 126' ' ' PHE . . . -74.7 100.55 1.21 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.701 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.562 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 1.5 p90 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.146 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.888 0.375 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 ttp85 -120.28 81.18 1.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.61 166.51 28.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.542 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -98.64 118.25 34.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.3 -169.75 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 42.25 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -58.82 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 62.61 -171.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -151.86 -77.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.51 93.93 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 p -121.75 -78.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.92 59.48 7.84 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.77 -28.89 19.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.573 2.182 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.6 mtt -97.49 37.52 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.7 -25.87 10.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.21 40.62 1.08 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mt -139.96 95.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 63.82 126.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.77 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -135.5 108.14 7.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.031 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.68 114.62 21.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.764 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -72.21 85.2 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.034 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -151.81 98.41 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -87.16 133.77 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.31 66.38 2.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.7 -44.04 39.68 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.62 2.213 . . . . 0.0 112.215 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -112.82 -28.86 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.039 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.17 86.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -171.17 -165.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.752 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.86 -175.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.94 0.4 . . . . 0.0 111.275 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m 63.75 148.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -102.26 -40.91 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.02 164.3 35.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.593 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -112.85 31.5 6.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -80.38 81.31 6.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.1 152.93 43.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt 62.41 150.12 0.1 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.38 99.65 0.83 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.532 2.155 . . . . 0.0 112.287 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.52 95.82 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.91 87.25 0.45 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.41 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 p -114.57 70.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 111.109 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -134.6 -4.53 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.848 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.66 81.14 1.99 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.811 0.339 . . . . 0.0 110.661 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -121.99 164.85 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.51 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.426 HG13 ' HB3' ' A' ' 116' ' ' ALA . 32.9 mm -128.07 77.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.45 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.441 ' CB ' ' HB2' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -60.15 154.97 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.647 -178.494 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.503 HG12 HG22 ' A' ' 106' ' ' ILE . 1.2 mp -148.23 101.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.824 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 124' ' ' HIS . 2.1 mtt180 -121.41 138.23 54.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.156 0.503 . . . . 0.0 112.026 -178.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 58' ' ' THR . 89.7 mt -87.42 157.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.723 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -138.84 82.95 1.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.981 179.164 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.422 ' HG3' ' CG2' ' A' ' 56' ' ' THR . 2.6 tt0 -87.65 99.15 11.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.476 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -76.85 119.57 20.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.198 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 71.36 21.47 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.651 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.97 27.57 72.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.885 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' THR . 9.0 mtt180 -142.7 -63.32 0.42 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.701 0.251 . . . . 0.0 111.373 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -61.83 77.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -79.54 129.7 34.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.212 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -140.57 107.33 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -76.43 133.03 39.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.288 -179.718 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -121.79 130.84 53.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.867 0.365 . . . . 0.0 111.028 179.746 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.465 ' CG1' HG12 ' A' ' 63' ' ' ILE . 54.6 t -97.34 128.29 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.442 ' OE1' ' CG ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -113.43 81.66 1.55 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.302 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 167.86 -33.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.742 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.479 HG21 ' CD2' ' A' ' 67' ' ' TYR . 34.0 mm -54.18 140.75 10.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.072 0.463 . . . . 0.0 111.319 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -86.59 139.42 30.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.412 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -61.0 -21.02 63.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.07 -29.2 70.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.821 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.499 ' CE2' ' HG ' ' A' ' 115' ' ' LEU . 3.8 m-30 -51.56 142.1 14.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.35 101.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.31 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -41.99 -43.41 3.15 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.52 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 3.6 ptpp? -69.73 -41.0 75.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.75 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -4.22 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.86 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -104.75 -71.18 0.75 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.422 -179.708 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.401 HG12 ' CD1' ' A' ' 96' ' ' ILE . 31.0 m -77.81 -41.97 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.51 0.195 . . . . 0.0 111.403 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -63.62 -47.06 82.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.26 94.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.831 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 5.1 t80 -45.3 -56.13 5.21 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.825 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 4.3 mtpm? -55.66 -22.76 24.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.192 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.01 -18.19 54.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.768 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -108.61 -42.75 4.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.49 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.495 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -115.43 -16.94 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.767 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 65.91 33.48 7.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.875 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.6 m -100.64 144.31 29.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.777 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.7 98.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.794 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.77 139.49 14.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 97' ' ' GLN . 80.3 p -139.59 148.4 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.5 95.0 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.745 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 pt -108.78 150.99 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.926 0.394 . . . . 0.0 111.668 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -98.74 75.04 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.925 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -52.06 139.02 34.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.545 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.21 -24.78 5.32 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.63 2.22 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 24.1 mt-10 -83.67 -26.84 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.442 ' CG ' ' OE1' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -112.08 -51.94 2.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.906 0.384 . . . . 0.0 110.797 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.65 96.97 1.86 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 65.55 92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -142.91 149.02 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.6 OUTLIER -92.42 117.67 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.322 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 85' ' ' THR . 1.8 tt0 -96.89 110.87 23.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.772 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 8.6 mt -104.93 156.85 17.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.928 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.69 142.09 27.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 111.652 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.65 177.23 50.13 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.624 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -77.97 75.63 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.356 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.428 ' O ' HG21 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -92.04 6.33 46.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.742 -179.358 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -44.57 -31.21 1.06 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.856 0.36 . . . . 0.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.45 -24.22 15.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.039 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -81.74 -41.41 21.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.541 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.503 HG22 HG12 ' A' ' 46' ' ' ILE . 6.0 tp -67.39 -48.31 78.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.45 ' N ' HG22 ' A' ' 106' ' ' ILE . 29.2 p -53.68 -33.47 55.49 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -53.32 31.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.723 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 63.6 t80 -55.81 -47.66 76.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.866 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.423 ' HB3' ' CB ' ' A' ' 116' ' ' ALA . 4.7 mp -55.0 -30.56 59.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 64.8 t -94.56 -25.66 4.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.073 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.53 -40.68 49.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.019 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.452 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 12.9 pt -90.12 -23.91 5.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.765 0.316 . . . . 0.0 111.3 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.76 29.85 7.51 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.858 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.499 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 2.5 tp -78.68 -73.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 0.0 110.746 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.426 ' HB3' HG13 ' A' ' 44' ' ' ILE . . . -84.17 -167.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.433 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.48 151.47 51.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.531 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.448 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 1.1 p-10 -61.42 -28.92 69.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.418 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -80.27 -15.85 56.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.875 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -111.62 0.66 16.45 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.196 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.448 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 13.9 mt -64.65 76.8 0.04 OUTLIER 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.808 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -93.39 79.26 4.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.752 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.4 p -87.69 121.02 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.616 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 47' ' ' ARG . 71.9 m-70 -130.63 137.83 49.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -104.47 126.84 8.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.084 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.185 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 mtm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.801 0.334 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.48 50.72 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.98 68.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p -100.77 37.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -131.84 -59.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t60 69.38 9.39 7.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.525 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 168.97 -78.43 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.791 0.329 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.418 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 32.4 t60 -161.88 44.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.78 135.55 57.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -97.51 76.17 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 p -105.72 165.2 11.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.808 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 59.76 97.2 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.8 -1.76 9.05 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.612 2.208 . . . . 0.0 112.344 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.442 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER 55.61 38.3 30.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.0 t 52.46 29.15 6.65 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.72 33.74 12.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.16 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 14' ' ' MET . 12.0 mt -74.78 90.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.557 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.35 119.56 39.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 61.92 118.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.037 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.42 143.35 44.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -160.0 130.3 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 p -115.48 137.23 52.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -131.91 121.76 24.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -124.16 139.88 33.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 38.9 Cg_exo -59.25 -20.14 53.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.358 2.039 . . . . 0.0 112.3 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -86.4 -37.6 18.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.656 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.58 40.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -128.39 -49.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.59 96.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 p -157.65 105.12 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.07 151.87 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -143.01 -156.48 6.79 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -94.23 110.3 22.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -129.45 44.28 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.32 166.45 13.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.88 156.37 68.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.24 109.33 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.648 2.232 . . . . 0.0 112.256 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.65 137.12 48.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -116.61 -129.54 4.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.557 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 1.5 p -127.43 -41.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.739 0.304 . . . . 0.0 111.099 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' CB ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 66.6 12.0 8.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.495 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 50.94 56.97 7.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.061 0.458 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CE1' ' CB ' ' A' ' 41' ' ' GLU . 17.8 m-85 -60.63 165.17 4.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.019 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.41 ' O ' HD11 ' A' ' 46' ' ' ILE . 50.8 mm -116.51 103.51 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.102 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.448 ' CE1' ' NE2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -63.92 139.93 58.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.621 -178.634 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.51 HG12 HG22 ' A' ' 106' ' ' ILE . 1.6 mp -136.8 104.05 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.811 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -125.45 144.96 50.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.351 0.596 . . . . 0.0 112.433 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.468 HD12 HG22 ' A' ' 48' ' ' ILE . 8.0 mt -97.43 149.77 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.371 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 7.1 pt20 -140.15 88.77 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.093 0.473 . . . . 0.0 110.962 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.1 tt0 -92.4 95.47 9.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.543 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -55.57 -36.03 66.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -127.82 -152.22 0.51 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.025 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.98 36.23 3.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.457 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' THR . 11.5 ptp180 173.19 -27.27 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.432 0.158 . . . . 0.0 111.418 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -67.67 65.74 0.08 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.947 0.403 . . . . 0.0 110.786 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -84.94 151.74 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.157 -179.603 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 5.1 mt -151.0 72.66 1.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.985 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 90.9 m -51.67 141.7 16.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.344 . . . . 0.0 111.361 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -123.37 157.29 33.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 179.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG2' HG12 ' A' ' 106' ' ' ILE . 53.8 t -130.41 121.3 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.051 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.2 139.94 51.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.464 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.07 -30.24 6.91 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.135 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.486 HG21 ' CD2' ' A' ' 67' ' ' TYR . 9.2 mm -56.44 145.18 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.02 0.438 . . . . 0.0 111.085 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.414 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -82.48 133.33 35.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.478 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.06 -18.61 61.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.678 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.85 -25.57 66.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.711 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.486 ' CD2' HG21 ' A' ' 63' ' ' ILE . 5.7 m-30 -49.4 167.59 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.75 81.86 8.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.275 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.97 -42.96 0.43 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.523 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -63.07 -68.73 0.31 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.574 179.557 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -58.94 -18.85 37.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.431 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.406 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 2.2 tt -65.55 -68.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.423 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.412 ' CG1' ' CD1' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.11 -40.52 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.667 -179.585 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -50.49 -41.81 53.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.957 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.8 74.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.66 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.419 ' CE1' ' CE2' ' A' ' 80' ' ' PHE . 11.7 t80 -59.88 -47.61 85.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.579 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -64.82 -13.79 56.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.362 179.678 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -100.73 -20.03 15.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.677 0.275 . . . . 0.0 111.301 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 2.3 tttm -96.67 -34.35 11.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.615 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CE2' ' CE1' ' A' ' 76' ' ' PHE . 6.6 m-85 -119.63 -17.58 8.6 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 74.24 32.37 1.0 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.956 0.407 . . . . 0.0 110.781 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 23.0 m -108.54 -175.01 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.62 123.52 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 0.0 110.539 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -121.24 119.17 4.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.404 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 97' ' ' GLN . 70.2 p -117.7 162.28 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 111.112 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.407 ' HA ' HD12 ' A' ' 96' ' ' ILE . 8.5 p -113.36 69.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pp -76.21 153.68 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.544 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -106.96 71.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.291 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.2 t-80 -52.71 130.86 46.79 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.219 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -15.61 21.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.42 2.08 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.45 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.92 -24.6 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.434 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -119.32 -53.76 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.93 98.96 2.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.653 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 61.84 86.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.0 111.189 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.78 146.17 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.2 mm -84.87 121.84 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.893 0.378 . . . . 0.0 110.231 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.413 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER -99.72 112.29 24.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.716 -178.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 2.8 mt -99.95 157.77 16.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.046 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -94.84 133.16 38.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.87 165.01 40.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.411 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.446 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 30.5 p-10 -65.43 80.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.783 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.441 ' O ' HG21 ' A' ' 106' ' ' ILE . 10.4 mm-40 -87.05 -0.05 56.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.732 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -30.25 0.38 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.762 0.315 . . . . 0.0 111.519 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.68 -23.76 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.144 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.66 -41.94 13.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.385 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.51 HG22 HG12 ' A' ' 46' ' ' ILE . 7.9 tp -65.78 -51.06 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.254 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.413 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 26.5 p -55.94 -36.73 68.07 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -32.94 67.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.55 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.454 ' CE1' ' CG2' ' A' ' 113' ' ' ILE . 78.7 t80 -73.14 -46.4 51.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.448 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 4.1 mp -56.63 -30.21 63.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.76 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 57.5 t -91.6 -30.47 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.27 -42.11 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.454 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 8.8 pt -88.95 -30.03 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.342 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.17 31.81 5.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.656 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.471 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 5.7 tp -77.42 -70.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.732 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' A' ' 110' ' ' LEU . . . -92.13 -171.43 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.425 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.02 149.59 33.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.447 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.419 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.0 m-20 -58.41 -30.62 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 110.598 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.1 -27.52 39.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.271 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.405 ' HB3' HG12 ' A' ' 44' ' ' ILE . 18.3 mt-30 -84.6 -3.84 58.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.256 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 51.7 mt -57.68 88.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.816 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -101.67 69.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.044 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.442 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 9.5 p -78.35 114.46 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 90.7 m-70 -111.84 -34.78 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.363 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.01 -113.61 4.9 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.119 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.946 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.0 mmm . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.27 31.93 21.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.66 105.38 0.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.571 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -84.21 -68.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -102.92 -29.25 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.3 -41.71 98.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 61.16 74.8 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -59.94 179.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -141.59 122.3 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -82.98 -26.41 31.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.9 p -55.6 114.69 1.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.052 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -118.58 138.1 25.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.18 -25.72 39.17 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.492 2.128 . . . . 0.0 112.407 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -23.89 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.5 p -55.03 -30.75 60.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.12 94.43 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mt -115.66 118.15 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -97.93 116.21 29.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.07 -56.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt 62.17 96.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -66.91 129.31 39.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.98 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.5 p 54.49 82.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -86.33 141.19 29.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 61.26 110.27 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.62 -21.16 23.74 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.514 2.143 . . . . 0.0 112.609 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -98.3 -25.69 14.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.879 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.79 112.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.086 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.77 97.73 8.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.97 163.06 23.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 t -70.22 -77.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -176.7 -65.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.84 -96.24 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 109.27 7.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -110.83 72.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.67 36.06 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.82 148.11 68.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.77 -175.52 2.14 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.619 2.213 . . . . 0.0 112.329 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 58.45 168.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.91 -112.89 0.3 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.485 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 9.0 p -120.6 -3.9 9.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.583 0.23 . . . . 0.0 111.385 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 57.1 18.77 4.27 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.654 0.264 . . . . 0.0 111.448 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t0 47.3 63.48 1.95 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.858 0.361 . . . . 0.0 111.124 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CE1' ' O ' ' A' ' 40' ' ' THR . 19.6 m-30 -65.11 161.75 18.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.192 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.444 HG23 ' CD1' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -112.52 104.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.02 179.503 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -68.42 147.6 51.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.949 -179.206 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.541 HG12 HG22 ' A' ' 106' ' ' ILE . 1.6 mp -146.74 106.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.027 179.016 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -138.56 125.57 21.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 49' ' ' GLN . 34.7 mt -63.51 158.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.632 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.489 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.6 pt20 -152.08 76.61 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.151 0.5 . . . . 0.0 110.403 178.314 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.1 tt0 -76.24 98.12 4.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.791 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -56.06 -39.08 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -125.15 -152.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.082 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.55 38.6 3.19 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.548 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 170.87 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.55 0.175 . . . . 0.0 111.412 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -68.29 65.15 0.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.981 0.42 . . . . 0.0 110.76 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -80.6 132.01 35.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.052 -179.594 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 10.3 mt -130.08 75.62 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.394 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.6 m -58.48 113.65 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.666 0.27 . . . . 0.0 110.849 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -96.9 170.66 9.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.955 0.407 . . . . 0.0 111.467 -179.803 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.413 ' CG2' HG12 ' A' ' 106' ' ' ILE . 70.5 t -137.01 113.93 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.059 179.633 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.425 ' OE1' ' CG ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -101.19 74.75 1.59 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.721 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.25 -54.85 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.62 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.495 HG21 ' CD2' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -54.7 149.29 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.981 0.419 . . . . 0.0 110.772 179.904 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.435 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -102.36 162.8 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.381 -179.599 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.9 -11.39 60.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.011 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -95.14 27.57 3.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.811 0.338 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.495 ' CD2' HG21 ' A' ' 63' ' ' ILE . 4.8 m-30 -95.34 37.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.669 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 2.7 t0 81.47 -16.39 0.64 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.666 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 tttt 64.83 -74.06 0.05 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.699 0.285 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -60.6 -68.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.704 179.785 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -48.66 -24.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.438 ' O ' ' CE2' ' A' ' 109' ' ' PHE . 0.3 OUTLIER -68.88 -77.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.424 -179.802 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.8 p -86.31 -40.52 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.066 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -52.25 -42.25 63.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 111.088 -179.856 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.57 71.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.512 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 6.8 t80 -53.94 -46.51 71.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.463 179.376 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 2.4 mttt -66.35 -15.01 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.128 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -97.6 -20.75 17.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.248 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 3.5 tttm -96.15 -48.63 5.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.581 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.512 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 4.1 m-85 -103.34 -20.34 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.317 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 75.94 34.19 0.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.018 0.437 . . . . 0.0 110.713 -179.315 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 30.6 m -116.52 166.06 12.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.653 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -85.74 141.81 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.681 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -150.99 152.49 24.29 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.748 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.2 p -147.24 162.61 38.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 0.0 110.943 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.2 p -115.4 69.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pp -79.14 157.49 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.602 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -109.54 69.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.381 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.459 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.1 t-80 -49.51 128.7 18.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.273 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.59 -16.76 23.89 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.47 2.113 . . . . 0.0 112.165 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.87 -26.56 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.425 ' CG ' ' OE1' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -113.71 -52.93 2.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.39 95.2 2.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.781 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 58.75 92.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 0.0 111.199 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.5 m -142.14 141.38 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.3 mm -79.68 127.65 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -104.84 108.87 20.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.445 -179.153 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 15.0 mt -97.59 156.89 16.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.116 179.098 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -100.75 124.63 46.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.416 ' CA ' ' HB ' ' A' ' 56' ' ' THR . . . 97.23 167.76 32.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.357 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.406 ' CB ' HD12 ' A' ' 48' ' ' ILE . 8.3 p-10 -67.99 73.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.546 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.465 ' O ' HG21 ' A' ' 106' ' ' ILE . 13.9 mm-40 -86.51 2.9 46.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.735 -179.404 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -43.4 -29.69 0.46 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.703 0.287 . . . . 0.0 111.481 -179.774 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -102.65 -21.61 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.193 179.81 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -86.65 -38.06 17.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.477 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.541 HG22 HG12 ' A' ' 46' ' ' ILE . 5.5 tp -69.05 -49.17 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.283 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.464 ' N ' HG22 ' A' ' 106' ' ' ILE . 25.9 p -53.03 -34.57 57.02 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 178.514 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -65.59 -45.34 83.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.88 178.664 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.481 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 35.7 t80 -55.9 -54.0 50.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.191 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.7 mp -54.28 -29.25 46.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.97 -23.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.257 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 108' ' ' GLN . 4.8 mm-40 -85.24 -46.9 10.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.481 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 2.4 pt -90.65 16.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.878 -179.21 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 50.88 49.28 42.39 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.562 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.462 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 8.0 tp -94.93 -68.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.913 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.56 178.66 4.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.751 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.61 155.49 18.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.502 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.422 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 4.8 m-20 -61.71 -28.15 69.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.28 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.23 -21.29 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.24 179.036 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.425 ' HB3' HD11 ' A' ' 44' ' ' ILE . 13.1 mt-30 -91.25 -4.44 55.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.108 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 31.2 mt -62.34 79.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.031 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -94.36 73.48 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.32 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.448 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.0 p -89.8 120.37 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.709 -179.358 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.411 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 34.0 m-70 -111.71 -34.33 6.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.465 179.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 46.03 61.4 3.97 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.305 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.441 ' CD2' HG23 ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.094 179.472 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.788 0.327 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.98 102.83 15.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.28 139.06 14.6 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.1 p -63.34 122.11 15.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -106.25 91.14 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 74.33 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -78.78 108.88 12.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -176.68 85.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -167.25 42.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -116.79 107.01 14.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -108.43 41.46 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.59 97.72 17.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.5 -1.1 9.23 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.628 2.218 . . . . 0.0 112.22 179.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.449 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 0.1 OUTLIER 55.51 37.98 29.62 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -178.775 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.9 t 52.8 29.06 7.07 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -177.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.33 34.11 13.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.077 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.449 ' CG1' ' O ' ' A' ' 14' ' ' MET . 11.0 mt -73.96 95.01 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.731 179.749 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -109.56 113.48 26.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -172.12 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.8 tp -61.87 -65.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -151.7 95.4 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.41 110.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 22.3 p90 -100.18 123.53 44.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.47 129.81 16.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.85 -26.75 40.77 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.411 2.074 . . . . 0.0 112.304 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.25 0.35 45.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.411 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -138.8 92.45 2.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.905 0.383 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -121.75 -42.91 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.9 84.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -145.7 -49.07 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.61 -49.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.26 -50.75 0.75 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.397 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.57 116.11 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -96.92 -37.66 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 mt -106.17 161.97 14.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -146.79 145.69 23.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.43 -64.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.561 2.174 . . . . 0.0 112.293 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 58.04 166.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.14 109.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.632 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 29.3 p -141.43 16.08 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.621 0.248 . . . . 0.0 111.19 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 50.43 23.82 1.39 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.646 179.92 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 44.63 64.46 1.34 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.897 0.379 . . . . 0.0 111.317 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.1 m-30 -67.12 172.71 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.432 HG12 ' HB3' ' A' ' 120' ' ' GLN . 24.0 mm -109.9 98.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.066 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.541 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -72.68 119.74 17.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.284 -178.79 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 40.5 mm -80.55 -96.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.649 178.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 5.1 tpp180 89.39 131.75 0.03 OUTLIER 'General case' 0 C--N 1.346 0.439 0 CA-C-O 121.149 0.499 . . . . 0.0 112.009 179.118 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.541 ' HB ' ' HA2' ' A' ' 125' ' ' GLY . 0.3 OUTLIER -111.26 171.75 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.392 179.545 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.466 ' N ' HG22 ' A' ' 48' ' ' ILE . 2.4 pt20 -162.13 99.77 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 178.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 18.0 tt0 -106.64 116.1 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.501 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.81 142.99 32.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.389 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.6 t30 61.86 20.47 11.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.887 -179.585 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.57 43.21 99.59 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.81 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -173.73 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 111.57 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -70.09 65.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 111.284 -179.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -75.54 143.05 42.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 179.804 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 mt -149.76 101.73 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.706 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.3 m -82.28 116.08 21.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.574 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -91.53 172.18 8.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 179.634 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG2' HG12 ' A' ' 106' ' ' ILE . 86.1 t -140.14 119.48 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.404 ' HA ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -116.56 153.29 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.723 179.761 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.53 -25.7 26.87 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.215 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.496 HG21 ' CD2' ' A' ' 67' ' ' TYR . 3.0 mm -72.88 146.43 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 111.152 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.455 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -83.53 140.31 32.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -66.52 -12.78 59.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -96.08 30.25 2.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.473 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.496 ' CD2' HG21 ' A' ' 63' ' ' ILE . 4.2 m-30 -87.23 34.58 0.69 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.646 0.26 . . . . 0.0 111.465 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' LYS . 11.8 t0 77.91 -11.79 1.16 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.08 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.746 0.308 . . . . 0.0 111.223 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 12.8 mmtp -52.07 -66.03 0.46 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.121 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -46.49 -25.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.577 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.68 -71.21 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.549 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.6 m -90.94 -41.29 13.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.598 -179.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 19.6 tptt -50.14 -40.69 47.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 110.564 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.26 -31.68 64.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.671 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CG ' HD23 ' A' ' 98' ' ' LEU . 15.4 t80 -57.02 -41.35 78.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.619 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 13.4 mtmt -69.8 -14.09 62.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.019 179.587 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -92.03 -19.24 22.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.804 179.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -99.09 -45.54 5.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.497 -179.604 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.422 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -119.72 -10.53 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.219 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 64.18 45.23 4.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.008 0.432 . . . . 0.0 110.817 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -113.28 138.14 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.78 104.31 0.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.01 112.55 4.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.223 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.4 p -111.84 150.09 30.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.1 p -103.67 65.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.9 pt -68.69 157.24 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 111.486 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -112.61 73.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.21 179.364 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.43 ' CE1' ' HG3' ' A' ' 91' ' ' GLU . 2.5 t-80 -55.73 142.26 63.37 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.404 -179.369 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.415 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 88.7 Cg_endo -81.49 -24.45 4.35 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.689 2.259 . . . . 0.0 112.577 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.43 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 11.5 mt-10 -82.95 -21.19 34.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.073 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -119.0 -50.41 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.95 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.0 97.16 1.69 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.636 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.79 87.72 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.404 HG13 ' HA ' ' A' ' 61' ' ' GLN . 17.1 m -141.78 137.94 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.728 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.574 ' O ' ' HA ' ' A' ' 59' ' ' THR . 6.9 mm -71.53 149.87 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.48 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.76 86.86 2.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.827 0.346 . . . . 0.0 111.235 -179.419 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.42 HD23 ' CG ' ' A' ' 76' ' ' PHE . 7.1 mt -70.55 157.53 37.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.414 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.68 144.89 25.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.664 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.54 176.12 38.83 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.883 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.503 ' HA ' HD12 ' A' ' 48' ' ' ILE . 25.7 p-10 -79.64 92.82 5.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.049 0.452 . . . . 0.0 110.761 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.21 10.23 33.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -27.2 2.14 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.76 0.314 . . . . 0.0 111.197 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.58 -25.13 14.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.165 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -84.0 -39.82 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.474 HG12 ' CG2' ' A' ' 60' ' ' VAL . 7.7 tp -62.17 -51.4 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.108 -179.703 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 1.3 m -57.68 -33.31 68.22 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.302 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -73.08 -32.42 65.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.576 178.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.465 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 79.5 t80 -74.2 -47.76 33.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.602 179.534 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mp -56.63 -29.79 62.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.799 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.08 -29.36 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.58 -46.26 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.792 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.465 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 10.1 pt -85.2 -19.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.394 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.44 31.52 16.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.628 -179.104 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.491 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 5.8 tp -76.41 -69.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.928 -179.72 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.91 -169.52 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 144.7 43.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.474 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -53.02 -30.49 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.937 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -79.73 -28.44 40.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.332 179.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.477 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 33.8 mt-30 -80.41 -11.09 59.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.348 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 65.2 mt -50.62 89.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 111.213 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -110.74 81.95 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.411 179.786 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.9 p -91.7 122.63 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.797 -179.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.541 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 19.6 m-70 -132.4 37.74 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.137 179.343 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.541 ' HA2' ' HB ' ' A' ' 48' ' ' ILE . . . -53.74 91.51 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.898 -0.667 . . . . 0.0 113.059 -179.477 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.485 ' HB2' HG23 ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.035 179.609 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.888 0.375 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -109.37 -37.1 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.37 121.87 4.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.56 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.3 t -167.85 154.13 7.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -148.84 139.32 22.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -149.72 156.37 41.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -171.26 43.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.36 77.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -151.8 136.42 17.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -179.21 0.39 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.8 p -141.95 123.0 14.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.995 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 60.41 97.85 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.59 -0.55 8.98 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.643 2.229 . . . . 0.0 112.238 179.169 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.447 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER 55.32 37.33 28.74 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 -178.756 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.75 29.16 7.11 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -177.7 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.37 34.87 15.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.162 -0.927 . . . . 0.0 109.983 -178.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.447 ' CG1' ' O ' ' A' ' 14' ' ' MET . 10.6 mt -72.9 98.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 59.63 176.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -103.26 -17.81 15.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.192 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.73 169.91 0.08 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 111.145 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -167.31 83.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -59.16 114.2 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.72 137.19 57.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.13 64.06 2.3 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.47 -26.4 63.21 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.585 2.19 . . . . 0.0 112.259 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.71 37.22 2.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.75 117.75 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -84.49 72.27 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.35 157.34 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.28 98.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -75.63 178.26 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -116.45 25.74 8.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.63 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -106.73 -46.29 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -142.04 99.96 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.81 90.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 mt -60.0 139.99 90.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.26 -160.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.495 2.13 . . . . 0.0 112.284 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 63.31 89.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.8 96.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.445 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER 177.49 -31.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.614 0.245 . . . . 0.0 111.115 -179.914 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.28 9.0 6.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.428 -179.823 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.94 59.16 4.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.125 0.488 . . . . 0.0 110.976 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' CE1' ' O ' ' A' ' 40' ' ' THR . 20.6 m-30 -60.73 167.09 2.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.2 mm -117.05 100.13 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.388 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.508 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -74.73 132.05 41.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.109 -178.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.504 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 27.9 mm -93.41 -99.72 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.15 178.746 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 91.28 130.14 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.336 0.588 . . . . 0.0 112.22 178.703 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -105.79 171.94 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.865 179.097 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.491 ' N ' HG22 ' A' ' 48' ' ' ILE . 2.4 pt20 -161.32 99.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.137 0.494 . . . . 0.0 111.098 178.668 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.526 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 11.6 tt0 -107.35 94.83 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.685 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -53.64 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -81.83 -150.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.637 179.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.78 35.29 4.13 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.302 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 56' ' ' THR . 8.2 ptm180 178.86 -27.48 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.42 67.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.805 0.336 . . . . 0.0 111.288 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -85.4 163.1 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.933 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.7 mt -162.01 93.92 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.5 m -72.53 117.77 14.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.069 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -99.48 162.92 12.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.962 0.41 . . . . 0.0 111.203 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.41 ' CG2' HG12 ' A' ' 106' ' ' ILE . 54.7 t -133.04 114.93 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.061 179.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.417 ' OE1' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -114.92 140.27 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.449 179.744 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.44 -29.89 7.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.898 -179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.491 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 2.6 mm -64.89 146.96 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 110.621 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.456 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -67.58 162.04 24.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.253 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.59 20.23 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.81 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -142.31 37.72 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.814 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.491 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 4.5 m-30 -86.92 35.75 0.7 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t70 76.24 -5.68 2.14 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 tttp 58.43 -80.52 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.724 0.297 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ASP . 24.9 mttm -50.15 -60.94 2.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.957 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -47.67 -24.81 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.434 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.08 -69.73 0.33 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.525 -179.771 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.13 -41.52 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.404 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 18.2 tttp -48.03 -40.96 24.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.024 0.44 . . . . 0.0 110.65 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -33.86 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.622 179.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.458 ' CE1' HD22 ' A' ' 98' ' ' LEU . 9.4 t80 -60.86 -56.51 20.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 34.0 mtmt -57.03 -20.51 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.299 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -93.97 -21.85 18.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.221 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -96.42 -31.61 12.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.243 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 17.7 m-85 -120.27 -15.46 8.63 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.179 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 73.36 29.58 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 0.0 110.716 -179.582 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.0 m -102.78 -162.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.6 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -121.03 119.79 33.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 110.334 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.46 114.43 3.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.2 p -114.96 158.57 21.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 0.0 111.18 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 11.6 p -111.76 105.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -117.46 154.27 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.389 -179.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.7 74.77 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.012 0.434 . . . . 0.0 110.45 179.351 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.2 t-80 -55.76 138.56 70.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.359 -179.752 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.69 -19.6 9.81 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.715 2.276 . . . . 0.0 112.285 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -81.94 -25.02 35.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.986 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.6 OUTLIER -118.86 -52.01 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.59 90.02 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.561 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 71.92 91.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 111.008 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.7 m -143.59 148.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.465 HG21 HD11 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -83.93 126.17 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.369 179.807 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.67 109.39 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.907 -178.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.458 HD22 ' CE1' ' A' ' 76' ' ' PHE . 2.7 mp -91.93 164.43 13.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.594 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.3 140.36 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 111.19 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.16 -169.9 54.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.407 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.45 ' HA ' HD12 ' A' ' 48' ' ' ILE . 6.6 p-10 -90.22 87.03 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.081 0.467 . . . . 0.0 110.584 179.753 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.428 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.4 OUTLIER -105.22 4.02 30.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.138 -179.819 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.02 -28.02 2.57 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.13 -27.0 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.972 179.749 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -86.44 -32.12 21.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.115 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.41 HG12 ' CG2' ' A' ' 60' ' ' VAL . 9.2 tp -65.44 -50.28 73.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.041 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.3 p -57.12 -36.3 70.51 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.252 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.9 -31.75 64.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.4 178.514 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.466 ' CE1' ' CG2' ' A' ' 113' ' ' ILE . 67.7 t80 -73.5 -44.15 58.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.352 179.312 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.98 -29.57 67.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.781 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.9 t -92.38 -29.35 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.46 -41.48 72.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.466 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 8.9 pt -89.85 -25.56 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.179 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.44 28.82 8.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.798 -179.274 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 4.3 tp -76.79 -71.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.802 -179.839 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.35 -178.35 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 179.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.19 153.77 27.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.673 179.621 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 6.7 p-10 -59.64 -29.06 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -23.72 39.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.281 179.25 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 122' ' ' LYS . 13.1 mt-30 -91.22 -3.52 56.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.879 179.45 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 29.4 mt -57.32 86.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.985 0.421 . . . . 0.0 111.029 -179.693 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 120' ' ' GLN . 14.0 mmtt -109.21 80.2 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.373 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.41 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.7 p -92.78 125.83 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.863 -179.245 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.508 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 12.9 m-70 -136.27 42.6 2.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.539 179.492 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.459 ' HA2' ' HB ' ' A' ' 48' ' ' ILE . . . -58.32 87.75 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.805 -179.544 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.471 ' HB2' HG23 ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.999 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 ttm . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.809 0.337 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.2 mmm-85 -65.36 -35.95 82.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.82 147.05 5.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -97.95 40.21 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 -73.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -172.3 -44.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -64.91 168.42 6.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.32 -64.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.08 -178.46 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -59.53 -60.52 3.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.982 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.27 102.26 11.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -60.22 116.13 16.25 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.07 -27.43 21.77 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.416 2.077 . . . . 0.0 112.375 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.31 -9.29 59.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.369 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.7 p -65.69 -42.7 90.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 0.0 110.971 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.65 75.35 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 mt -91.54 150.4 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -100.07 97.69 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -149.9 77.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -169.66 81.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -145.13 70.35 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -130.18 61.0 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.55 138.45 54.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 t70 60.31 87.41 0.14 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.04 -22.33 38.62 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.611 2.207 . . . . 0.0 112.362 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -113.54 46.25 1.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.958 -179.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.45 78.57 4.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -84.24 141.78 30.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.58 100.72 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.053 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -169.8 -59.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.851 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -153.25 120.84 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.5 -73.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.79 70.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -109.11 44.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.4 tp -106.91 86.63 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 mt 61.74 152.97 0.11 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.22 117.82 3.46 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.677 2.251 . . . . 0.0 112.442 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.75 130.4 38.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.93 28.17 35.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -95.82 -29.93 13.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 63.31 13.85 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.547 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 46.96 61.43 2.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.904 0.383 . . . . 0.0 111.24 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.467 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.0 m-30 -61.5 175.74 0.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.435 HG12 ' HB3' ' A' ' 120' ' ' GLN . 29.7 mm -114.64 101.06 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.272 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.452 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -64.5 143.07 58.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.186 -179.003 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.54 HG12 HG22 ' A' ' 106' ' ' ILE . 1.2 mp -137.21 103.58 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.267 178.759 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.9 mmm-85 -123.32 138.31 54.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 0.0 111.847 -178.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.434 HD11 HG22 ' A' ' 48' ' ' ILE . 20.0 mt -92.84 154.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.855 179.379 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.422 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.3 pt20 -139.22 92.43 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.487 179.163 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.454 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 3.0 tt0 -92.96 116.63 29.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.561 -179.242 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.08 126.12 37.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.169 179.307 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.71 21.64 11.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.733 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.65 35.53 92.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.733 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' THR . 50.2 mtt-85 -153.57 -64.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.681 0.24 . . . . 0.0 111.392 179.89 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.06 81.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.591 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -83.91 140.68 31.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.398 -179.419 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 1.4 mp -145.74 116.29 7.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.198 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -92.47 128.66 38.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 111.347 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -109.69 149.66 29.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.06 179.715 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.507 ' CG2' HG12 ' A' ' 106' ' ' ILE . 71.4 t -123.8 123.82 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.65 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.452 ' HG3' ' HB3' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -114.74 139.83 49.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.527 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.03 -28.3 8.09 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.079 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.51 HG21 ' N ' ' A' ' 64' ' ' ALA . 4.6 mm -61.16 147.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.691 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.51 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -90.28 129.29 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.486 -179.352 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -57.93 -21.45 43.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.558 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -26.22 68.21 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.563 ' CE2' ' HG ' ' A' ' 115' ' ' LEU . 7.0 m-30 -48.45 172.43 0.01 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.811 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' LEU . 10.3 t0 -80.05 62.56 4.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.079 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -30.37 -55.58 0.19 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.22 -179.446 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -48.32 -48.14 36.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 68' ' ' ASP . 17.4 mttm -89.61 -14.96 33.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.529 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -58.44 -45.54 88.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.762 0.315 . . . . 0.0 111.053 -179.7 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.43 -30.89 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.153 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 71' ' ' LYS . 0.7 OUTLIER -60.22 -42.94 96.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.499 179.821 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.3 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.284 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 13.0 t80 -60.36 -43.71 96.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.379 179.35 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -65.64 -15.47 62.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.307 179.823 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -95.72 -18.93 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.358 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -103.97 -37.62 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.671 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 6.1 m-85 -114.45 -16.82 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.479 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 67.47 35.28 4.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.985 0.421 . . . . 0.0 110.636 -179.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.1 m -113.05 157.24 21.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.717 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.28 113.73 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.52 113.34 3.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.296 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.8 p -118.71 155.98 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 111.273 -179.644 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.9 p -103.39 121.47 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 pt -128.7 147.24 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.826 0.346 . . . . 0.0 111.342 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -101.9 74.18 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.051 0.453 . . . . 0.0 110.259 179.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.425 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.6 t-80 -53.43 142.91 38.45 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.522 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 86.4 Cg_endo -81.61 -27.63 2.58 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.682 2.255 . . . . 0.0 112.418 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.34 -20.36 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.255 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.413 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 1.5 m-85 -119.44 -49.8 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.165 -179.629 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.41 101.8 1.3 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.649 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 64.94 94.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 111.228 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.8 m -144.7 151.31 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.5 mm -96.46 124.97 49.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.252 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.414 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 1.2 tt0 -100.49 110.1 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.81 -179.086 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.424 HD23 ' CD2' ' A' ' 76' ' ' PHE . 3.6 mt -93.59 159.67 15.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.707 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.74 143.16 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.941 0.4 . . . . 0.0 111.266 -179.604 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.94 169.91 25.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.428 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -68.81 92.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.618 179.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.427 ' O ' HG21 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -106.82 6.78 29.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.581 -179.637 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -44.83 -29.56 0.82 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.709 0.29 . . . . 0.0 111.592 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -101.52 -20.8 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.268 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -87.93 -38.23 15.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.441 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.54 HG22 HG12 ' A' ' 46' ' ' ILE . 5.4 tp -66.73 -49.92 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.374 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.45 ' N ' HG22 ' A' ' 106' ' ' ILE . 7.2 p -53.12 -34.42 56.63 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.592 0.711 . . . . 0.0 109.173 178.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -66.42 -51.5 56.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.978 178.786 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 67.3 t80 -52.57 -54.38 33.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.267 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.421 ' HB3' ' CB ' ' A' ' 116' ' ' ALA . 6.0 mp -54.44 -28.77 46.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.021 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.0 t -93.32 -24.67 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.201 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 108' ' ' GLN . 3.5 mm-40 -79.02 -45.77 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.435 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 12.5 pt -83.79 -15.24 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.441 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.69 32.31 18.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.56 -179.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 6.1 tp -80.84 -74.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.659 0.266 . . . . 0.0 111.143 -179.509 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.421 ' CB ' ' HB3' ' A' ' 110' ' ' LEU . . . -83.76 -163.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.322 179.545 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.76 146.9 46.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.324 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -57.91 -32.02 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 0.0 110.526 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.0 -27.26 43.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.154 179.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 32.3 mt-30 -81.48 -11.29 59.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.174 179.586 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 64.1 mt -52.17 91.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.042 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.07 75.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.962 -179.822 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.466 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 11.5 p -86.7 118.84 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.427 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 69.4 m-70 -114.94 -31.16 6.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.366 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 62.57 -115.41 7.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.277 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.454 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.759 0.314 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -140.39 70.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.12 -65.17 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.531 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.1 p -139.35 -175.86 4.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 59.33 88.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.82 -175.21 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -110.17 105.14 14.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -136.48 31.7 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -171.69 119.34 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -98.69 69.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.5 m -97.02 -13.25 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.277 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 63.59 65.12 1.28 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.868 0.366 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.77 -25.36 60.46 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.585 2.19 . . . . 0.0 112.26 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.6 mtm -56.47 -28.63 60.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.1 p -58.83 -29.58 67.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.65 53.01 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.3 mt -142.76 59.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -70.83 -165.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 71.43 -63.6 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 mp 63.26 55.71 1.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.983 0.42 . . . . 0.0 110.762 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -89.31 174.33 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.809 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -159.99 -174.82 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -157.68 134.55 9.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -134.13 64.6 66.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.84 -27.63 54.11 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -111.13 -81.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.889 -179.899 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 177.0 122.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.068 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -96.9 -65.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.9 91.61 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.77 148.38 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -171.23 35.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.772 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.65 -132.73 8.84 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.402 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -170.01 36.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.99 85.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 tp -118.32 70.52 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 mp -71.54 157.69 89.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -51.72 135.46 49.31 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.661 2.24 . . . . 0.0 112.288 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -109.46 150.32 28.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -143.36 -94.94 0.2 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.621 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.419 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 6.0 p -106.44 -13.48 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.596 0.236 . . . . 0.0 111.394 -179.881 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 64.66 16.27 10.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.652 0.263 . . . . 0.0 111.315 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 t0 53.57 77.63 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.916 0.389 . . . . 0.0 110.547 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.472 ' CD2' ' HD3' ' A' ' 122' ' ' LYS . 13.9 m-30 -82.59 173.96 11.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.602 -179.278 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.41 HG12 ' HB3' ' A' ' 120' ' ' GLN . 50.6 mm -131.49 82.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.322 179.406 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.553 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -52.79 139.17 27.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.524 -178.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 24.4 mm -99.68 -99.73 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.929 178.544 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 1.3 tmt_? 86.58 123.38 0.03 OUTLIER 'General case' 0 C--N 1.345 0.401 0 CA-C-O 121.182 0.515 . . . . 0.0 112.285 178.647 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 49' ' ' GLN . 8.4 mt -105.26 155.54 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.281 179.087 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.2 pt20 -138.26 99.14 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.918 0.39 . . . . 0.0 110.684 179.497 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.453 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 2.1 tt0 -97.52 113.2 24.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.221 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.23 121.36 36.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.38 179.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.5 t30 73.46 22.69 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.54 44.97 97.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.545 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -171.74 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -72.48 63.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.683 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.453 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -72.7 134.27 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 2.4 mt -144.17 99.39 3.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.5 m -72.65 135.44 45.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -117.22 153.59 32.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 111.315 179.846 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 106' ' ' ILE . 61.8 t -123.4 121.51 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.095 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.428 ' OE1' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -118.42 140.06 50.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.493 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.47 -24.83 13.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.274 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.513 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -69.08 146.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.467 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -80.28 141.6 35.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -68.97 -10.64 58.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.19 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -94.31 26.27 3.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.488 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 5.5 m-30 -87.97 31.78 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.562 0.22 . . . . 0.0 111.275 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t70 78.19 -11.5 1.2 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.733 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.9 -79.73 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.661 0.267 . . . . 0.0 111.259 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -52.37 -66.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.123 -179.823 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -47.45 -26.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.434 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.49 -69.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.214 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.444 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 8.1 p -82.7 -38.36 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.645 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.01 -43.95 40.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.97 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.18 -31.92 72.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 179.513 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.414 ' CG ' HD23 ' A' ' 98' ' ' LEU . 5.9 t80 -60.64 -45.63 93.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.493 179.617 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -10.39 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -105.71 -20.45 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.679 0.276 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.475 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 tmtm? -95.54 -39.02 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.299 -179.771 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CZ ' ' CD ' ' A' ' 79' ' ' LYS . 11.1 m-85 -112.38 -21.41 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.445 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 75.8 33.3 0.62 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.892 0.377 . . . . 0.0 110.591 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.1 m -104.81 -167.3 1.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.75 119.22 29.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.654 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -125.94 139.96 11.81 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.658 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.3 p -123.3 177.54 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 111.26 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 86' ' ' VAL . 11.6 p -124.87 84.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.056 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.75 153.99 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.05 0.452 . . . . 0.0 111.533 -179.592 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -105.12 74.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.33 179.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.425 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.5 t-80 -56.3 143.05 66.43 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.381 -179.476 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 84.2 Cg_endo -82.16 -27.46 2.37 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.639 2.226 . . . . 0.0 112.307 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -80.94 -21.53 40.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.224 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.428 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 1.3 m-85 -119.31 -47.64 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.12 -179.613 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.73 104.63 1.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.672 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 57.29 93.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.2 m -145.04 144.12 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -73.71 157.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.445 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.415 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -135.15 97.47 3.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.786 0.327 . . . . 0.0 111.473 -179.221 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.49 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 3.6 mt -85.93 156.38 20.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.328 179.135 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -91.77 143.78 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.178 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.68 176.73 45.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.23 84.06 5.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 110.592 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.401 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -96.03 12.37 30.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.161 -179.784 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -47.7 -28.58 2.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.45 -21.18 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -89.2 -37.3 15.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.149 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 60' ' ' VAL . 4.8 tp -63.86 -52.0 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.027 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.409 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 11.2 p -57.77 -32.5 67.56 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.097 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -70.35 -37.05 74.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.464 178.601 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.5 ' HA ' ' HB3' ' A' ' 112' ' ' GLU . 73.8 t80 -69.17 -47.51 64.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.236 179.092 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 115' ' ' LEU . 5.6 mp -52.61 -33.01 44.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.891 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.87 -37.47 8.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 109.785 179.247 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.5 ' HB3' ' HA ' ' A' ' 109' ' ' PHE . 1.2 tt0 -61.47 -26.48 67.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.011 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.491 ' CG2' ' CE1' ' A' ' 109' ' ' PHE . 7.0 pt -109.86 -27.61 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 111.533 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 101.3 23.19 9.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.985 -179.419 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.475 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 3.3 tp -73.73 -72.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.74 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.16 166.27 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 152.39 20.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.453 179.699 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.7 p-10 -57.33 -27.17 61.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.77 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 -26.16 41.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 10.4 mt-30 -85.39 -15.54 42.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.145 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 50.5 mt -49.86 110.14 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.633 -179.379 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.472 ' HD3' ' CD2' ' A' ' 43' ' ' TYR . 1.3 mmmm -132.83 80.41 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.742 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.452 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 10.2 p -87.38 121.55 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 -179.368 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.553 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 43.5 m-70 -123.46 75.01 1.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.123 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.76 120.64 23.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.247 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.295 -0.859 . . . . 0.0 111.372 -179.743 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.844 0.354 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -115.45 31.39 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.52 -153.47 13.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 p -60.46 124.64 20.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -158.85 126.72 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 129.88 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -85.65 139.34 31.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.0 171.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.3 m80 59.98 65.4 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -107.88 -33.65 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.39 176.95 2.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -156.3 82.17 3.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.76 -28.8 39.66 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.575 2.183 . . . . 0.0 112.249 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 ttt -63.11 -21.58 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.9 p -53.06 -29.46 30.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -152.3 92.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.0 mt -106.39 142.29 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -115.15 117.73 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -163.53 83.79 0.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' C ' ' CG ' ' A' ' 21' ' ' HIS . 4.8 mp -96.34 -19.58 19.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.443 ' CG ' ' C ' ' A' ' 20' ' ' LEU . 1.2 p-80 44.15 91.87 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.365 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -121.84 176.1 5.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.931 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -101.12 172.93 6.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.742 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.35 83.59 0.31 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.795 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.417 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 31.7 Cg_exo -59.58 -32.63 96.38 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.55 2.167 . . . . 0.0 112.395 -179.865 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -126.13 -52.48 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.788 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.46 38.22 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.057 -179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -61.68 125.84 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.82 121.88 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.037 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.65 75.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -92.34 -38.14 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 126.98 61.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -127.7 30.41 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.88 -38.38 23.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.0 tp -125.23 97.47 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 mt -100.42 151.46 37.56 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.82 87.02 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.652 2.235 . . . . 0.0 112.303 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.8 94.07 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.26 -70.65 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.618 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -106.25 -33.81 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 111.003 -179.906 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 54.75 21.65 3.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.477 -179.904 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.76 61.25 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.078 0.466 . . . . 0.0 111.028 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.438 ' CE1' ' O ' ' A' ' 40' ' ' THR . 18.6 m-30 -66.75 166.06 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.038 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 120' ' ' GLN . 49.3 mm -118.13 106.85 20.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.204 179.425 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.477 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -67.05 143.47 56.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.375 -178.819 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.54 HG12 HG22 ' A' ' 106' ' ' ILE . 1.6 mp -140.26 101.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.114 178.647 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -126.91 149.69 49.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.302 0.572 . . . . 0.0 112.259 -178.612 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 58' ' ' THR . 40.3 mt -101.87 153.43 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.448 179.223 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.468 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 4.4 pt20 -132.9 82.73 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.212 0.53 . . . . 0.0 110.416 178.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.412 ' OE1' ' CZ ' ' A' ' 126' ' ' PHE . 1.7 tt0 -96.52 125.85 41.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.733 -179.681 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' ARG . 31.9 mtp85 -91.58 121.42 33.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.067 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.2 t30 55.57 26.5 9.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.97 -4.96 84.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.387 -179.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ARG . 4.9 mtp180 -119.86 -171.13 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.709 0.29 . . . . 0.0 110.694 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.83 78.27 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.19 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.406 ' CG2' ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -90.48 131.69 36.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.514 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.468 ' HB2' ' CG ' ' A' ' 49' ' ' GLN . 4.9 mt -137.22 94.29 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.027 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 53.3 m -68.61 142.37 55.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.397 -179.741 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.87 143.88 50.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.742 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.501 ' CG2' HG12 ' A' ' 106' ' ' ILE . 59.3 t -118.84 124.57 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.477 ' HG3' ' HB3' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -118.9 138.54 52.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.453 179.69 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.63 -26.82 8.74 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.104 -179.79 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 11.3 mm -63.19 144.08 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.437 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -85.3 131.7 34.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.242 -179.705 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -60.94 -19.07 60.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.73 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.18 -21.26 65.8 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.481 ' CD2' ' CD1' ' A' ' 115' ' ' LEU . 6.8 m-30 -48.9 172.78 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.744 0.306 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -52.56 -26.69 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.69 -76.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.756 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -61.2 2.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.322 179.42 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -22.4 63.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.681 179.338 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.415 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 1.8 tt -56.12 -64.24 0.92 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.75 -27.62 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.27 179.829 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -43.18 85.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.921 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.96 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.43 ' CE1' HD11 ' A' ' 106' ' ' ILE . 6.4 t80 -59.12 -54.94 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 179.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -18.06 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.408 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -96.31 -20.31 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.606 0.241 . . . . 0.0 111.418 -179.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -101.93 -31.0 10.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.606 -179.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 29.6 m-85 -115.75 -17.0 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.492 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 72.09 28.01 2.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 22.9 m -104.29 -166.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.67 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.08 118.14 30.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.397 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.11 118.48 4.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.389 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.5 p -125.3 143.6 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 111.194 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.41 ' CA ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -97.92 101.94 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 179.655 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.65 154.92 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.941 0.4 . . . . 0.0 111.296 -179.818 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -97.44 75.01 2.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.346 179.407 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.401 ' HB2' HG23 ' A' ' 95' ' ' VAL . 2.3 t-80 -49.64 140.37 14.56 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.38 -179.672 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.43 -21.02 10.57 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.532 2.155 . . . . 0.0 112.24 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.3 OUTLIER -80.89 -23.57 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.3 m-85 -119.06 -49.1 2.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.17 -179.47 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.16 -15.74 15.6 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.946 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 177.15 111.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.68 0.276 . . . . 0.0 110.581 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.401 HG23 ' HB2' ' A' ' 89' ' ' HIS . 29.9 m -155.54 155.99 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 0.0 111.359 -179.778 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.41 HD12 ' CA ' ' A' ' 86' ' ' VAL . 0.5 OUTLIER -90.98 122.07 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.063 179.402 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -96.66 116.53 29.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.718 -179.047 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 1.2 mt -103.43 158.52 16.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.808 178.801 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.88 130.83 44.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.893 0.377 . . . . 0.0 110.786 179.735 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.45 162.11 36.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.176 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.413 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 16.7 p30 -67.46 77.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.461 ' O ' HG21 ' A' ' 106' ' ' ILE . 10.8 mm-40 -84.7 1.55 45.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.466 -179.639 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -29.23 0.27 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.775 0.322 . . . . 0.0 111.635 -179.828 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -23.08 13.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.222 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -89.92 -37.82 14.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.433 -179.56 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.54 HG22 HG12 ' A' ' 46' ' ' ILE . 6.6 tp -63.56 -49.8 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.68 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.411 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 5.5 p -55.32 -33.36 63.25 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.101 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -68.9 -48.08 64.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.714 178.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.456 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 74.7 t80 -59.76 -50.49 73.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.6 mp -53.97 -30.32 46.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 86.1 t -93.27 -27.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.163 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.22 -41.36 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.456 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 11.2 pt -88.84 -26.33 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.42 -179.874 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.01 30.9 6.48 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 -179.456 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 3.5 tp -80.32 -70.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 110.633 -179.822 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.33 -167.59 1.84 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.513 179.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 155.72 45.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.627 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.411 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 2.7 p30 -62.44 -28.26 69.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.983 0.42 . . . . 0.0 110.362 179.806 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -79.48 -21.81 44.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.117 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.409 ' HB3' ' HA ' ' A' ' 43' ' ' TYR . 9.7 mt-30 -97.83 -1.81 42.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.082 179.654 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 21.1 mt -59.22 87.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.791 0.329 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -104.28 73.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.757 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.1 p -78.33 122.03 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.313 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.458 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 90.2 m-70 -126.36 63.7 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -54.66 120.16 15.57 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.241 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.412 ' CZ ' ' OE1' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.209 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.844 0.354 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.6 82.64 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.89 -107.19 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 t -150.73 -171.19 3.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -139.49 108.58 6.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -147.74 37.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 62.74 74.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -107.05 29.79 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.802 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -86.21 157.87 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.955 -179.871 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -98.26 175.2 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.89 -46.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -134.29 82.72 46.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.1 -29.37 27.11 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.565 2.177 . . . . 0.0 112.243 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 mtm -58.33 -24.33 59.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -41.85 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.38 88.74 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.044 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.6 mt -100.08 116.85 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -61.86 143.86 55.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -168.77 105.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 tp -170.5 106.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.7 -53.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.7 p -70.14 123.39 21.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -89.63 116.77 28.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -107.28 103.62 49.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -55.21 -22.12 31.21 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.441 2.094 . . . . 0.0 112.468 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -97.8 38.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -166.43 42.57 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -108.8 -41.39 4.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.83 153.53 26.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 t -175.96 131.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -173.91 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.979 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.05 -40.58 1.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.581 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -111.79 41.75 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.783 0.325 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -87.59 55.79 3.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.24 75.97 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.9 mt 60.14 160.61 0.1 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.4 140.02 63.98 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.06 103.58 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.1 -137.59 9.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.61 79.9 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -126.95 -31.86 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.2 68.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.937 0.399 . . . . 0.0 110.694 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -71.72 175.57 5.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.187 -179.662 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.433 HG12 ' HB3' ' A' ' 120' ' ' GLN . 24.1 mm -110.4 103.53 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.727 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -74.51 131.76 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.825 -179.394 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 27.4 mm -92.19 -98.95 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.157 178.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.8 ttt180 85.14 126.59 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.286 0.565 . . . . 0.0 112.355 178.733 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.443 HG23 ' CD1' ' A' ' 126' ' ' PHE . 3.1 mt -103.38 157.83 5.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.218 179.036 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.7 pt20 -140.76 94.83 2.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.999 0.428 . . . . 0.0 111.076 179.478 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' HG3' ' CA ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -95.99 114.74 26.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.678 179.825 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -55.41 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.597 -179.401 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.72 22.68 9.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.709 0.29 . . . . 0.0 110.985 -179.754 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.1 14.35 60.69 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.299 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -139.82 -45.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.695 0.284 . . . . 0.0 111.046 -179.901 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -74.75 66.34 1.47 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.033 0.444 . . . . 0.0 110.423 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.473 ' CA ' ' HG3' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -74.18 143.0 45.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.209 -179.469 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 2.4 mt -141.18 92.86 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.8 m -69.58 119.44 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.974 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -103.35 165.65 10.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.012 0.434 . . . . 0.0 111.162 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 106' ' ' ILE . 41.6 t -134.23 117.54 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.265 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.426 ' OE1' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -111.41 141.05 45.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.277 179.474 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.7 -24.03 18.25 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.282 -179.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.497 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 5.1 mm -73.64 145.6 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 111.191 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.437 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -82.49 138.84 34.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -66.55 -12.35 57.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.42 24.34 3.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.461 -179.85 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.501 ' CD2' ' CD1' ' A' ' 115' ' ' LEU . 4.9 m-30 -85.14 23.35 1.27 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.489 179.72 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 26.8 t0 80.91 -17.75 0.55 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 tttt 64.37 -73.93 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.676 0.274 . . . . 0.0 111.349 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -51.67 -47.06 63.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.26 -179.825 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -13.93 6.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.622 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -97.33 -58.46 2.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.581 0.229 . . . . 0.0 111.049 -179.814 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 84' ' ' GLY . 3.4 t -79.36 -50.92 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -52.49 -43.28 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.026 0.441 . . . . 0.0 110.076 179.666 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.32 -48.7 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.374 179.117 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.495 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 14.6 t80 -46.55 -46.93 19.68 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.978 179.493 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 3.1 mtpm? -62.81 -24.46 67.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -85.03 -18.21 35.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.27 -179.726 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -104.56 -35.97 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.057 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 6.3 m-85 -118.93 -10.68 9.83 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.46 32.36 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.655 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 18.6 m -107.82 157.71 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.593 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.06 122.5 29.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.629 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.414 ' O ' HG12 ' A' ' 73' ' ' VAL . . . -113.32 128.03 8.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.232 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.8 p -129.54 115.43 17.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.402 . . . . 0.0 111.487 -179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 10.1 p -75.04 111.75 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.853 179.614 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.39 159.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.986 0.422 . . . . 0.0 111.389 -179.781 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -108.95 71.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.401 179.445 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -54.71 135.36 64.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.238 -179.523 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.56 -17.83 14.11 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.57 2.18 . . . . 0.0 112.248 179.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -82.18 -24.2 35.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -123.5 -52.17 1.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.664 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.17 105.2 2.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.631 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 58.42 90.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.4 m -144.19 137.89 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.2 mm -71.92 157.55 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.966 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.41 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -133.66 95.46 3.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.808 0.337 . . . . 0.0 111.313 -179.402 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.426 HD12 ' CZ ' ' A' ' 76' ' ' PHE . 8.4 mt -85.53 156.3 20.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.313 179.252 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.46 142.18 27.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.126 -179.728 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.16 177.07 51.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.449 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -80.29 75.39 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.013 0.435 . . . . 0.0 110.757 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.419 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.2 OUTLIER -89.77 9.07 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.07 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.412 ' HG2' ' CG1' ' A' ' 123' ' ' VAL . 7.0 tmm_? -48.2 -28.84 3.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -21.37 15.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -87.59 -33.82 18.74 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.733 0.301 . . . . 0.0 111.245 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.471 HG12 ' CG2' ' A' ' 60' ' ' VAL . 7.7 tp -65.82 -50.3 71.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.349 -179.658 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 21.9 p -52.3 -34.81 48.54 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.465 0.65 . . . . 0.0 109.271 178.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -67.05 -50.68 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.809 178.697 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.565 ' HA ' ' HB2' ' A' ' 112' ' ' GLU . 57.2 t80 -58.02 -40.8 81.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 mp -59.48 -32.08 69.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.773 -179.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.8 t -95.99 -23.41 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.253 0.549 . . . . 0.0 110.316 179.19 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.565 ' HB2' ' HA ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -68.6 -44.14 74.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.929 179.692 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.436 HG23 HD11 ' A' ' 113' ' ' ILE . 4.5 pt -96.73 -26.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.52 -179.41 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.54 29.33 5.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.853 -179.444 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.501 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 2.0 tp -75.96 -72.86 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 -179.839 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.04 148.85 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 147.57 31.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.52 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.406 ' HA ' HD13 ' A' ' 121' ' ' LEU . 3.6 m-20 -51.29 -31.69 22.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.966 0.413 . . . . 0.0 110.689 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -78.47 -28.04 46.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.099 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 122' ' ' LYS . 29.5 mt-30 -80.61 -11.55 59.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.069 179.627 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 118' ' ' ASP . 65.6 mt -52.34 87.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.89 0.376 . . . . 0.0 111.257 -179.592 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 120' ' ' GLN . 11.0 mmtt -108.29 88.58 2.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.291 179.727 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.412 ' CG1' ' HG2' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -98.71 127.32 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.458 -179.327 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 11.7 m-70 -134.85 68.74 1.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.256 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -57.04 120.05 18.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.156 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.271 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.796 0.331 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.88 151.53 23.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.76 35.37 51.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.566 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.48 -47.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 61.85 160.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -114.21 -1.48 13.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.415 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -93.67 15.8 15.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.683 0.278 . . . . 0.0 111.274 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 54.03 -171.67 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.76 0.314 . . . . 0.0 111.211 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.44 -60.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -96.72 99.87 11.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -66.6 -37.48 85.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -105.94 114.14 62.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.44 -22.55 38.86 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.421 2.08 . . . . 0.0 112.397 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.4 mmt -56.02 -23.95 36.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.188 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m -57.76 -46.67 84.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.73 94.56 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.1 mt -101.44 78.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.052 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 62.43 42.61 8.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -141.47 96.92 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -162.25 30.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -75.04 -31.15 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -92.95 58.13 2.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -165.36 107.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 59.39 69.66 1.26 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -62.02 -25.23 77.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.62 2.213 . . . . 0.0 112.169 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.27 39.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.787 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.8 84.03 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.49 84.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -165.51 129.0 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -64.56 140.6 58.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.09 34.29 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.5 112.94 2.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.63 81.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -99.21 31.99 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tp -81.9 89.9 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.32 145.19 63.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.34 89.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.498 2.132 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 62.04 118.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.23 80.72 1.06 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.457 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 17.1 p -146.41 18.25 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.678 0.275 . . . . 0.0 111.268 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 3.2 mt-10 47.96 26.1 0.9 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.65 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.6 t0 44.03 62.05 2.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.381 . . . . 0.0 111.397 179.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.433 ' CD2' ' HE3' ' A' ' 122' ' ' LYS . 14.7 m-85 -66.78 175.28 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.3 mm -112.33 95.03 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.254 179.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 138.6 54.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.898 -179.15 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.435 HD13 HG22 ' A' ' 106' ' ' ILE . 0.4 OUTLIER -142.48 106.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.525 179.324 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -127.55 150.12 49.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.164 0.506 . . . . 0.0 112.264 -178.636 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.473 HG22 HD11 ' A' ' 48' ' ' ILE . 50.5 mt -102.88 157.37 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.476 179.331 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -140.72 93.73 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.409 179.296 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.474 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 1.9 tt0 -92.34 111.54 23.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.234 -179.473 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -90.88 126.71 36.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.481 179.589 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 64.96 22.62 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.792 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.96 47.95 86.71 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.538 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -170.85 -44.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.283 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 65.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.001 0.429 . . . . 0.0 110.762 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.474 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -74.76 131.35 40.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.745 -179.958 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mt -140.14 98.79 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.805 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.9 m -71.69 112.5 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -100.43 150.09 22.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.054 179.741 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 HD11 ' A' ' 46' ' ' ILE . 55.2 t -122.17 126.03 73.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.29 179.741 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.31 144.81 48.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.332 179.741 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.76 -26.16 18.65 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.161 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.522 ' CG2' ' CD2' ' A' ' 67' ' ' TYR . 2.8 mm -67.25 146.0 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.033 0.444 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.468 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -79.54 137.98 37.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.093 179.836 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.98 -13.72 60.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.239 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -94.92 29.25 2.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.261 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 3.9 m-30 -88.28 24.56 1.85 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.415 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 15.4 t0 81.64 -18.49 0.48 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.31 -74.82 0.05 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.795 0.331 . . . . 0.0 111.361 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 45.1 mttp -51.54 -42.38 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.472 -179.539 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.97 -1.29 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.018 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -107.12 -70.03 0.81 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.654 0.264 . . . . 0.0 111.1 -179.654 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.432 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 4.1 p -78.13 -45.79 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.064 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -62.01 -44.43 96.74 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.94 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.23 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.062 178.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 16.6 t80 -48.18 -48.7 34.47 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.57 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -71.54 -4.62 27.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.743 -179.927 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.56 -21.51 13.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.725 179.754 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 5.6 tmtm? -88.24 -49.58 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.214 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CZ ' ' HD2' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -108.82 -16.34 14.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.626 -179.746 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 75.55 33.8 0.63 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.154 0.502 . . . . 0.0 110.324 -179.266 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 16.4 m -97.03 -174.57 3.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.425 ' HB2' ' CB ' ' A' ' 99' ' ' GLN . 11.5 m120 -105.87 122.93 47.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.332 179.89 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.38 157.83 19.62 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.852 -179.502 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.6 p -153.43 150.54 28.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.828 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.7 p -114.63 111.47 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.791 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.416 HG12 ' HB2' ' A' ' 97' ' ' GLN . 13.1 pt -123.84 163.72 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.436 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -112.92 76.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.927 178.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -52.53 133.28 44.9 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.48 -179.38 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.94 -14.6 17.0 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.546 2.164 . . . . 0.0 112.347 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -85.12 -24.09 28.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.446 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.3 m-85 -126.17 -54.57 1.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.933 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.74 -112.81 0.71 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.209 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.55 89.9 4.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.769 0.319 . . . . 0.0 110.686 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.3 m -124.44 141.79 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.49 -179.672 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -74.26 159.98 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.631 179.257 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.434 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -133.29 82.11 1.97 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.883 0.373 . . . . 0.0 111.437 -179.486 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.454 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -65.68 167.11 9.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.057 179.109 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.425 ' CB ' ' HB2' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -109.75 130.95 55.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.748 179.701 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.431 ' HA2' ' HB ' ' A' ' 56' ' ' THR . . . 88.16 178.63 47.22 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.971 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.2 p30 -80.24 73.75 7.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.959 0.409 . . . . 0.0 110.385 179.566 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.409 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -89.3 7.31 36.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.275 -179.558 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -28.37 1.92 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.027 0.441 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -92.64 -27.6 17.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.737 179.504 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -82.6 -39.11 22.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.435 HG22 HD13 ' A' ' 46' ' ' ILE . 8.9 tp -65.48 -49.74 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.4 ' N ' HG22 ' A' ' 106' ' ' ILE . 34.0 t -56.72 -35.22 68.29 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.033 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -33.07 64.09 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.45 178.561 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.438 ' CE2' ' CD1' ' A' ' 113' ' ' ILE . 67.6 t80 -72.2 -45.15 61.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.333 179.423 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.84 -29.48 66.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.753 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.3 t -92.44 -28.95 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.051 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.75 -43.82 68.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.825 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.438 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 6.0 pt -89.82 -21.87 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.335 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 90.01 34.31 8.35 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.548 -179.081 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.498 ' CD1' ' CD2' ' A' ' 67' ' ' TYR . 4.7 tp -76.97 -73.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.727 0.299 . . . . 0.0 111.141 -179.582 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.53 159.78 15.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.544 179.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -82.89 145.74 29.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.392 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.429 ' HA ' HD13 ' A' ' 121' ' ' LEU . 1.8 m-20 -53.17 -32.45 47.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.576 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -79.45 -28.47 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.047 179.139 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.408 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 33.2 mt-30 -80.11 -8.63 59.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.236 179.496 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 118' ' ' ASP . 84.5 mt -56.29 88.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.997 0.427 . . . . 0.0 111.077 -179.641 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.433 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 2.2 mmtt -104.48 78.98 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.769 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.84 112.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -114.33 70.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.261 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.68 120.51 14.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.234 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.47 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.81 0.338 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -122.13 74.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.11 -164.8 17.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 p -169.48 -55.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.37 86.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -64.53 171.12 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -66.74 85.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -113.64 -35.8 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 61.2 166.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.98 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -59.86 113.72 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -92.77 164.64 13.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -157.3 71.53 4.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.78 -13.55 37.19 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.633 2.222 . . . . 0.0 112.546 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.9 mtt -88.14 9.44 22.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.43 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 t -108.91 34.45 3.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.746 0.308 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.44 37.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.7 mt -91.49 137.93 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -79.44 145.72 33.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -103.96 33.42 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.35 -176.5 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.7 m170 62.02 151.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.93 133.83 50.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -142.17 149.9 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.3 108.12 1.14 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.31 -27.03 71.57 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.499 2.133 . . . . 0.0 112.187 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -98.04 -49.69 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.744 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.74 87.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.02 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.05 75.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -175.34 -173.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.7 m -163.89 81.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.22 114.13 21.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.18 -22.68 56.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.596 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 64.1 63.83 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -65.68 -27.61 68.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.78 141.07 45.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.7 120.08 59.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.49 -44.63 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.392 2.061 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.13 130.78 56.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.88 -134.98 3.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -109.17 -16.58 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.609 0.242 . . . . 0.0 111.277 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 2.2 mm-40 67.17 11.16 8.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.427 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.7 61.91 2.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.971 0.415 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.457 ' CD2' ' HE3' ' A' ' 122' ' ' LYS . 20.4 m-30 -62.6 166.66 5.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.436 HD11 ' HB3' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -107.01 79.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 109.448 179.164 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.497 ' NE2' ' NE2' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -62.31 113.17 2.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.969 -178.748 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' A' ' 123' ' ' VAL . 16.8 mm -74.7 -93.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.485 178.789 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 79.71 121.65 0.05 OUTLIER 'General case' 0 C--N 1.342 0.27 0 CA-C-O 121.101 0.476 . . . . 0.0 112.0 178.776 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.445 HD11 HG22 ' A' ' 48' ' ' ILE . 14.1 mt -97.25 156.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.406 179.271 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.441 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.6 pt20 -141.05 98.53 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 179.196 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.455 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 2.9 tt0 -95.7 125.18 40.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.495 -179.313 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.52 130.04 54.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.365 179.465 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.1 t30 66.0 20.92 11.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.904 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.56 45.75 93.97 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.858 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.0 -37.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.68 0.276 . . . . 0.0 111.533 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -74.83 66.45 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 110.745 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.451 ' CB ' ' HG3' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -76.14 135.84 39.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.99 -179.864 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 3.9 mt -141.09 100.77 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.4 ' CG2' ' CG2' ' A' ' 46' ' ' ILE . 84.3 m -75.42 115.53 15.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -99.42 160.99 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.309 -179.804 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.0 t -127.31 109.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.607 179.398 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.05 55.0 3.34 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.834 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 63' ' ' ILE . . . -166.39 -144.97 4.28 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.607 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.515 HG21 ' N ' ' A' ' 64' ' ' ALA . 0.8 OUTLIER 58.79 146.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.118 0.485 . . . . 0.0 110.867 179.604 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.515 ' N ' HG21 ' A' ' 63' ' ' ILE . . . -104.64 155.89 18.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.301 -179.546 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.76 -18.96 61.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.237 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.47 35.46 1.34 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.988 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.536 ' CE2' ' HG ' ' A' ' 115' ' ' LEU . 3.7 m-30 -98.07 29.47 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.827 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' LYS . 2.5 t0 78.8 -10.5 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.003 179.881 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 60.15 -79.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.698 0.285 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' ASP . 6.0 mtpt -53.54 -64.74 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -48.28 -24.63 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.458 ' O ' ' CE2' ' A' ' 109' ' ' PHE . 0.6 OUTLIER -68.22 -79.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.084 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 3.6 p -83.86 -43.68 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.698 0.285 . . . . 0.0 111.715 -179.36 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 3.1 tmtm? -50.73 -42.18 57.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.58 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.309 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 8.5 t80 -53.47 -52.22 60.19 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.064 0.459 . . . . 0.0 110.601 179.757 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -63.02 -14.72 51.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.481 179.817 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -20.28 16.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.714 0.292 . . . . 0.0 111.074 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 17.7 tttp -97.2 -36.92 10.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.542 -179.53 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.51 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 17.4 m-85 -112.9 -18.83 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -179.523 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 75.61 28.56 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 -179.243 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 77' ' ' LYS . 23.0 m -100.45 -178.79 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.765 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.407 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -106.45 103.88 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 110.548 179.793 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.84 136.85 13.6 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.558 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.8 p -141.89 123.44 15.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.892 0.377 . . . . 0.0 111.463 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.2 p -83.93 111.74 20.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.708 179.481 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.56 153.45 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 111.56 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -98.08 69.91 2.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.322 179.4 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -49.37 133.71 17.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.388 -179.608 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.35 -18.03 16.24 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.474 2.116 . . . . 0.0 112.368 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -85.59 -26.39 26.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.981 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.9 OUTLIER -115.16 -53.63 2.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.945 -179.895 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.76 97.72 2.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.675 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 61.71 84.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.64 142.48 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -80.56 127.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.631 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -104.83 110.54 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.973 0.416 . . . . 0.0 111.867 -178.91 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.495 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 1.3 mp -95.15 165.86 12.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.629 178.7 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.407 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 6.4 mm-40 -105.92 139.2 40.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.83 -179.49 51.15 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.156 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.438 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 9.1 p-10 -78.97 84.67 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.413 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -103.37 9.88 37.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.343 -179.578 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -49.43 -28.76 5.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 0.0 111.061 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -96.42 -22.0 17.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -86.2 -36.98 19.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.244 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.0 tp -66.56 -47.38 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.945 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 26.7 p -55.21 -32.52 62.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.307 0.575 . . . . 0.0 109.539 178.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -69.54 -47.0 65.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.985 178.9 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 64.8 t80 -58.39 -56.83 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.085 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 mp -53.85 -27.7 31.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.7 t -92.85 -25.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.037 179.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 108' ' ' GLN . 3.8 mm-40 -79.09 -47.59 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.894 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.457 ' CG1' ' HB2' ' A' ' 115' ' ' LEU . 12.9 pt -84.27 -0.16 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.44 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.96 30.58 67.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.686 -179.168 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.536 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 5.9 tp -74.1 -70.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 0.0 111.213 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.84 -170.1 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 154.6 43.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.754 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.516 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.5 p30 -56.64 -25.59 53.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 4.6 m-20 -77.0 -23.17 52.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.651 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.436 ' HB3' HD11 ' A' ' 44' ' ' ILE . 9.0 mt-30 -106.62 12.49 29.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.141 179.73 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.516 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 17.1 mt -81.31 57.66 3.3 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.228 0.537 . . . . 0.0 110.738 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.457 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -50.75 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.481 -179.293 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.545 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 45.64 105.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 CA-C-O 121.345 0.593 . . . . 0.0 112.402 179.454 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.497 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 9.9 m-70 -118.91 -66.35 1.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 118.32 -131.08 9.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.013 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 1.6 p90 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.949 0.404 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.469 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 18.4 m-30 -69.84 172.82 7.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.744 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.414 HG12 ' HB3' ' A' ' 120' ' ' GLN . 21.0 mm -112.95 96.67 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 110.551 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.531 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -67.91 126.03 28.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.877 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.686 HD12 ' CG2' ' A' ' 106' ' ' ILE . 26.0 mm -84.83 -96.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.462 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.481 ' N ' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.56 125.57 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.284 0.564 . . . . 0.0 112.055 178.886 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.86 HG23 HG22 ' A' ' 56' ' ' THR . 4.8 mt -108.81 157.46 9.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.32 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 3.9 pt20 -141.9 92.41 2.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 111.024 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.6 tt0 -95.29 97.97 10.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -59.49 4.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.73 -151.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.016 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.53 35.76 3.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.538 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER 174.86 -26.67 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.61 67.13 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.976 0.417 . . . . 0.0 110.607 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.86 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -87.46 150.55 23.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.322 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.753 HD13 ' OE1' ' A' ' 97' ' ' GLN . 2.6 mt -144.75 80.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.408 ' HG1' ' H ' ' A' ' 102' ' ' GLN . 44.3 m -62.59 121.74 14.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.096 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -108.12 162.55 13.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.946 0.403 . . . . 0.0 111.273 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.615 HG12 HG12 ' A' ' 63' ' ' ILE . 38.6 t -128.45 116.69 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.145 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.569 ' NE2' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -114.85 142.91 45.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.401 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.43 -30.07 7.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.882 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' A' ' 67' ' ' TYR . 8.2 mm -57.37 145.81 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.903 0.382 . . . . 0.0 111.079 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.611 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.69 134.34 36.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.34 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -63.31 -17.7 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -68.45 -25.29 64.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.773 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.4 m-30 -49.44 158.39 0.42 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.034 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -74.51 82.93 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.448 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -36.85 -41.72 0.34 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.739 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 4.8 mptt -66.3 -67.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.723 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -58.52 -20.37 45.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.245 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.718 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.7 tt -65.58 -68.98 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.324 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.55 HG21 ' C ' ' A' ' 84' ' ' GLY . 7.9 p -83.05 -44.99 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.792 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.472 ' N ' HG13 ' A' ' 73' ' ' VAL . 2.4 tttm -47.85 -42.15 25.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.75 70.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.694 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.823 ' CE2' HD22 ' A' ' 98' ' ' LEU . 7.9 t80 -60.64 -44.24 96.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.496 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -8.97 57.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.199 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.78 -20.22 15.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.683 0.278 . . . . 0.0 111.167 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -96.32 -49.11 5.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.547 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.46 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -107.73 -16.19 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.585 -179.411 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 69.39 40.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.0 110.998 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.83 167.07 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.804 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -87.19 109.24 19.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.55 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -118.11 139.54 14.77 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.668 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -137.17 167.46 21.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.784 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.562 ' O ' HG13 ' A' ' 86' ' ' VAL . 13.1 p -117.2 113.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.5 pt -119.35 145.66 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.309 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -102.37 75.18 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.468 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -56.35 137.45 75.46 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.135 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.57 -22.35 7.99 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.636 2.224 . . . . 0.0 112.289 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -82.35 -25.39 33.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CD2' ' NE2' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -117.33 -50.9 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.819 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.94 103.36 2.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.726 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 58.03 91.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.213 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 61' ' ' GLN . 25.9 m -142.54 128.39 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.703 ' O ' HG22 ' A' ' 59' ' ' THR . 1.1 mm -68.83 153.81 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.23 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.753 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -127.85 105.32 8.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 111.426 -179.314 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.052 HD11 HD13 ' A' ' 106' ' ' ILE . 9.6 mt -93.74 157.3 16.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.031 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -94.49 138.17 32.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.858 0.361 . . . . 0.0 111.037 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.45 166.98 24.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.57 93.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.847 0.356 . . . . 0.0 110.758 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -105.58 9.24 33.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.967 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.405 ' HG2' HD11 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -48.08 -27.38 2.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.343 . . . . 0.0 111.287 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -97.0 -21.57 17.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.393 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -93.53 -37.24 12.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.249 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 1.052 HD13 HD11 ' A' ' 98' ' ' LEU . 6.2 tp -64.56 -50.89 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.127 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.606 ' HB3' HD22 ' A' ' 121' ' ' LEU . 15.9 m -57.15 -36.26 70.51 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -33.0 69.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.397 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.825 ' CE2' HD13 ' A' ' 113' ' ' ILE . 76.5 t80 -72.48 -45.71 58.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.537 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.2 mp -56.68 -30.28 63.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.72 -30.73 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.52 -37.69 80.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.825 HD13 ' CE2' ' A' ' 109' ' ' PHE . 7.6 pt -95.09 -26.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.278 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.97 29.48 8.03 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.86 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.718 HD21 ' HG ' ' A' ' 72' ' ' LEU . 5.9 tp -75.19 -70.24 0.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.885 0.374 . . . . 0.0 110.722 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.86 -164.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.462 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.477 ' HB2' ' NE2' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -125.52 144.49 50.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.335 179.464 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 8.4 m-20 -52.42 -30.47 29.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.822 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.0 -25.78 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.352 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.477 ' NE2' ' HB2' ' A' ' 117' ' ' LYS . 76.2 mt-30 -85.99 -11.49 52.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.283 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 107' ' ' CYS . 54.6 mt -49.33 92.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.401 . . . . 0.0 111.002 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -113.82 84.43 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.732 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.0 p -91.78 122.66 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.531 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 37.5 m-70 -128.65 78.61 1.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.394 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.14 120.97 24.12 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.944 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.353 -179.597 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.836 0.35 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.4 m-30 -70.99 173.6 7.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.938 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 61' ' ' GLN . 22.3 mm -111.92 99.18 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.183 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.37 118.87 12.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.194 -178.806 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.564 HD12 ' CG2' ' A' ' 106' ' ' ILE . 37.9 mm -79.81 -96.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.315 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 82.88 127.17 0.04 OUTLIER 'General case' 0 C--N 1.342 0.276 0 CA-C-O 121.227 0.537 . . . . 0.0 112.128 178.837 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.552 ' CG2' HG22 ' A' ' 56' ' ' THR . 44.0 mt -102.62 157.11 4.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.378 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.44 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -132.59 79.87 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.083 0.468 . . . . 0.0 110.472 179.214 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.654 ' CG ' HG23 ' A' ' 56' ' ' THR . 2.4 tt0 -89.65 98.43 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.307 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.4 126.39 30.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.423 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t30 62.95 22.62 13.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.819 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.93 34.59 90.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.685 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' THR . 77.3 mtt180 -150.65 -58.13 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.699 0.285 . . . . 0.0 111.246 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 73.85 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.441 . . . . 0.0 110.714 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.654 HG23 ' CG ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -79.65 129.02 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.189 -179.715 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.823 HD23 ' CD ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -140.54 88.11 2.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.602 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 55.4 m -63.14 125.28 23.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.35 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.769 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -108.08 158.18 17.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.944 0.402 . . . . 0.0 111.157 179.499 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.502 ' CG2' HG12 ' A' ' 106' ' ' ILE . 17.5 t -125.32 123.02 64.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.115 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.563 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -118.67 149.14 41.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.778 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.32 -29.82 11.27 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.107 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.817 HG23 ' CD2' ' A' ' 67' ' ' TYR . 5.6 mm -59.93 144.45 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.0 0.429 . . . . 0.0 111.187 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -84.54 133.57 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.225 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.7 -17.39 62.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.02 -10.93 59.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.207 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.817 ' CD2' HG23 ' A' ' 63' ' ' ILE . 6.3 m-30 -53.31 -177.09 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.834 0.349 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -54.71 -30.24 55.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.15 -76.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 1.3 mptp? -56.77 -69.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.574 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -21.55 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.703 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.5 tt -54.86 -67.14 0.29 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.469 ' HB ' HD12 ' A' ' 96' ' ' ILE . 5.4 p -89.45 -30.65 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.481 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -59.4 -41.65 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.563 179.685 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.15 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.783 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.654 ' CD2' HD22 ' A' ' 98' ' ' LEU . 7.5 t80 -57.73 -44.77 86.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.549 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 15.4 mttt -69.2 -12.34 61.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.238 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -98.85 -19.26 17.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.695 0.283 . . . . 0.0 111.22 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 47.0 tttp -101.11 -37.49 8.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.739 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 6.2 m-85 -114.45 -14.21 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.716 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 66.5 32.38 7.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.013 0.435 . . . . 0.0 110.823 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 72.7 m -101.51 -177.06 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.728 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.05 114.96 28.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -115.02 135.81 12.64 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.695 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.7 p -131.66 131.37 43.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.804 0.335 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.1 p -86.08 64.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.971 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 pt -67.65 152.36 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.281 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -101.84 73.15 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.368 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.485 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.8 t-80 -54.31 134.3 61.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.295 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -77.33 -16.62 15.26 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.517 2.145 . . . . 0.0 112.196 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -82.64 -23.31 34.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.972 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.482 ' HD2' HG21 ' A' ' 95' ' ' VAL . 1.6 m-85 -123.93 -52.15 1.78 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.035 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.73 101.99 2.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 62.54 81.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.482 HG21 ' HD2' ' A' ' 92' ' ' TYR . 9.7 m -133.17 141.88 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.3 mm -81.23 135.32 25.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.823 ' CD ' HD23 ' A' ' 57' ' ' LEU . 5.9 tt0 -125.09 117.08 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.13 0.491 . . . . 0.0 111.696 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.093 HD11 HD13 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -98.51 158.05 15.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.359 179.199 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.68 140.03 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.212 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.18 178.3 52.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.58 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -81.21 83.26 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.508 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.533 ' O ' HG22 ' A' ' 106' ' ' ILE . 2.0 mp0 -94.92 10.96 33.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.197 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.4 ptt85 -49.01 -25.78 2.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.833 0.349 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -102.42 -21.51 14.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.296 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -89.44 -41.61 11.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.711 0.291 . . . . 0.0 111.26 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 1.093 HD13 HD11 ' A' ' 98' ' ' LEU . 7.2 tp -60.6 -50.01 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.292 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.87 ' HB2' HD22 ' A' ' 121' ' ' LEU . 20.8 p -57.93 -35.12 70.65 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -33.34 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.502 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.824 ' CE2' HD13 ' A' ' 113' ' ' ILE . 75.0 t80 -72.97 -43.85 61.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.589 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.716 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 3.1 mp -58.51 -29.58 66.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 107' ' ' CYS . 48.7 t -92.95 -26.84 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.2 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.76 -33.08 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.033 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.895 HD11 HD22 ' A' ' 115' ' ' LEU . 9.8 pt -97.67 -24.48 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.436 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.91 27.77 9.27 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.838 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.895 HD22 HD11 ' A' ' 113' ' ' ILE . 4.6 tp -78.3 -71.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.765 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.716 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -94.35 163.3 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.609 ' HB2' HE21 ' A' ' 120' ' ' GLN . 0.0 OUTLIER -89.83 150.8 22.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.548 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -58.09 -27.51 63.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.962 0.411 . . . . 0.0 110.409 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -83.18 -24.51 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.343 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.609 HE21 ' HB2' ' A' ' 117' ' ' LYS . 74.5 mt-30 -81.94 -14.13 56.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.247 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.87 HD22 ' HB2' ' A' ' 107' ' ' CYS . 60.2 mt -49.67 91.07 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 111.078 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 120' ' ' GLN . 5.7 mmtt -110.08 84.25 1.89 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.78 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.4 p -92.53 116.81 34.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.373 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 27.6 m-70 -122.96 83.46 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.225 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -56.18 119.54 15.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.22 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.265 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.881 0.372 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.485 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 18.7 m-30 -78.68 170.8 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.477 HG12 ' HB3' ' A' ' 120' ' ' GLN . 32.5 mm -106.75 99.26 8.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.994 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -72.61 115.67 12.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.173 -178.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.706 HD12 HG21 ' A' ' 106' ' ' ILE . 34.3 mm -74.17 -94.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.573 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 7.0 tpt180 85.47 130.21 0.04 OUTLIER 'General case' 0 C--N 1.344 0.364 0 CA-C-O 121.159 0.504 . . . . 0.0 112.003 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.792 HG23 HG22 ' A' ' 56' ' ' THR . 3.8 mt -114.03 156.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.389 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 6.3 pt20 -139.96 101.73 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.991 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.6 OUTLIER -102.62 111.38 23.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.666 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -80.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.314 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.48 43.67 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.691 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.95 19.82 59.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.878 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -145.04 -44.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -71.27 65.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.44 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.792 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -75.26 144.22 42.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.953 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 98' ' ' LEU . 1.9 mt -145.47 90.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 m -65.69 122.55 17.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -105.14 161.32 14.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.36 . . . . 0.0 110.978 179.61 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.613 HG12 HG12 ' A' ' 63' ' ' ILE . 18.8 t -128.01 119.69 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.465 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.554 ' CG ' HG11 ' A' ' 95' ' ' VAL . 19.9 mt-30 -114.01 143.42 44.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.606 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.93 -34.66 5.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.605 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.803 HG23 ' CD2' ' A' ' 67' ' ' TYR . 8.5 mm -52.74 142.44 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.016 0.436 . . . . 0.0 111.405 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.572 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -81.23 138.37 35.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.375 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.62 -16.83 64.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.895 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.91 -24.61 62.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.803 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.6 m-30 -48.33 159.18 0.22 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.221 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.13 80.33 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.172 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -37.48 -43.04 0.56 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.731 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 12.6 mttt -62.15 -68.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.719 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -62.2 -15.7 48.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.594 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.724 ' HG ' HD21 ' A' ' 115' ' ' LEU . 1.8 tt -67.88 -70.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.58 0.228 . . . . 0.0 111.501 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG21 ' C ' ' A' ' 84' ' ' GLY . 8.8 p -84.43 -45.85 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.493 ' N ' HG13 ' A' ' 73' ' ' VAL . 8.6 mmtm -48.57 -41.74 31.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.64 -31.65 72.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.556 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CD2' HD22 ' A' ' 98' ' ' LEU . 9.6 t80 -60.2 -43.93 95.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.557 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -9.15 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.245 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 -20.96 13.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.668 0.271 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -95.12 -39.19 10.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.51 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.532 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 4.9 m-85 -113.89 -18.47 11.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.649 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.32 33.32 0.9 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.923 0.392 . . . . 0.0 110.93 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 66.3 m -105.5 -179.32 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.59 117.98 35.47 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.53 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -121.83 134.33 9.86 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.654 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 p -123.73 168.11 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.001 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.1 p -120.22 71.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.593 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.9 pt -79.05 149.6 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.535 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -104.01 75.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.173 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -51.24 129.14 31.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.332 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.5 -13.44 22.63 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.433 2.089 . . . . 0.0 112.29 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.6 OUTLIER -86.1 -24.45 26.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -126.0 -54.96 1.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.89 -113.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -100.09 90.81 4.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.732 0.301 . . . . 0.0 110.757 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.554 HG11 ' CG ' ' A' ' 61' ' ' GLN . 20.3 m -118.72 136.59 55.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.284 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -74.2 151.18 7.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.859 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.593 ' OE1' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -124.66 101.8 7.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.762 0.315 . . . . 0.0 111.52 -179.048 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.863 ' O ' HD23 ' A' ' 57' ' ' LEU . 8.8 mt -91.53 155.97 18.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.329 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.01 142.54 27.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.885 0.374 . . . . 0.0 111.103 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.75 179.13 51.18 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.572 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.423 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 23.7 p-10 -83.47 78.43 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.034 0.445 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.6 mp0 -91.34 13.92 16.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.141 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -47.32 -28.92 2.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.927 0.394 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -101.52 -21.86 14.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.031 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -84.12 -37.25 22.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.061 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.837 HD13 HD11 ' A' ' 98' ' ' LEU . 4.8 tp -66.53 -52.23 48.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.053 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.63 ' HB3' HD22 ' A' ' 121' ' ' LEU . 59.5 m -55.74 -33.56 64.37 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.29 -35.24 66.1 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.418 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.782 ' CE2' HD13 ' A' ' 113' ' ' ILE . 74.2 t80 -72.05 -45.64 60.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.474 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 2.8 mp -57.24 -30.33 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.707 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 107' ' ' CYS . 49.0 t -91.73 -31.33 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.201 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.96 -29.78 66.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.782 HD13 ' CE2' ' A' ' 109' ' ' PHE . 7.7 pt -103.96 -25.24 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.445 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.64 31.95 7.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.766 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 113' ' ' ILE . 6.0 tp -76.88 -70.47 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.983 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -89.24 -169.18 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.704 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 144.9 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.421 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -54.91 -31.61 60.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.924 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.7 p30 -80.71 -19.85 44.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.485 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 74.8 mt-30 -89.32 -10.98 44.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 107' ' ' CYS . 40.9 mt -49.03 92.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.162 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -114.78 84.52 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 123' ' ' VAL . 13.1 p -94.88 124.3 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.341 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 16.6 m-70 -130.2 85.41 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.393 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.62 121.93 21.22 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.176 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.422 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.854 0.359 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -91.63 176.56 6.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.431 HG12 ' HB3' ' A' ' 120' ' ' GLN . 24.8 mm -111.74 97.84 6.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.493 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.451 ' CE1' ' NE2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.53 130.08 41.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.929 -179.24 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.727 HD12 ' CG2' ' A' ' 106' ' ' ILE . 18.2 mm -88.91 -97.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.218 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.59 124.63 0.03 OUTLIER 'General case' 0 C--N 1.345 0.387 0 CA-C-O 121.149 0.5 . . . . 0.0 111.933 178.795 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.726 HG23 HG22 ' A' ' 56' ' ' THR . 0.4 OUTLIER -103.35 154.66 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.406 179.295 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.423 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 7.0 pt20 -139.85 104.04 4.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 111.053 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -105.63 119.74 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.593 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -67.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.393 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -92.63 38.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.224 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.46 22.53 38.77 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.372 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -156.35 -45.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.53 66.39 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 0.0 110.357 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.726 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -71.87 158.03 36.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.086 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 98' ' ' LEU . 2.2 mt -149.56 80.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.448 ' HG1' ' H ' ' A' ' 102' ' ' GLN . 76.0 m -58.88 120.65 9.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.407 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -105.15 161.97 13.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.917 0.389 . . . . 0.0 110.81 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.629 HG12 HG12 ' A' ' 63' ' ' ILE . 29.1 t -130.88 110.5 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.057 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.834 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -103.33 140.45 37.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.478 179.682 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.2 -26.47 10.37 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.063 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.796 HG23 ' CE2' ' A' ' 67' ' ' TYR . 12.7 mm -65.47 146.42 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.943 0.401 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.525 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -86.07 132.9 33.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.382 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.28 -19.24 61.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.741 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -23.54 66.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.746 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.796 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.8 m-30 -49.91 158.0 0.55 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -73.2 78.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.45 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -41.18 -38.05 1.02 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.311 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -61.74 -55.96 24.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.544 179.587 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -84.29 4.83 29.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.532 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.61 ' HG ' HD21 ' A' ' 115' ' ' LEU . 1.8 tt -85.38 -58.67 2.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.765 0.316 . . . . 0.0 110.788 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.909 HG13 HD12 ' A' ' 96' ' ' ILE . 2.0 m -89.62 -40.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.332 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 5.4 ttpt -52.77 -40.84 63.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.009 0.433 . . . . 0.0 110.33 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.45 -31.55 72.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.515 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 7.7 t80 -65.27 -57.08 9.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -54.93 -22.24 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.488 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.37 -19.99 21.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 111.408 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -101.06 -30.42 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.827 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.524 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 28.2 m-85 -117.64 -15.27 10.18 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.47 24.36 2.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.3 m -102.35 -162.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.294 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.56 115.74 23.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.92 0.39 . . . . 0.0 110.153 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.414 ' HA2' HD12 ' A' ' 98' ' ' LEU . . . -106.34 120.31 6.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.365 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.45 ' O ' HD13 ' A' ' 96' ' ' ILE . 24.4 p -121.95 153.68 38.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.844 0.354 . . . . 0.0 111.285 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.6 ' HA ' HD13 ' A' ' 96' ' ' ILE . 11.0 p -107.39 124.07 63.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.604 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.462 HD13 ' NE2' ' A' ' 97' ' ' GLN . 17.2 pt -135.93 157.02 38.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.05 0.452 . . . . 0.0 111.595 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -111.23 74.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.198 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -56.45 142.79 68.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.359 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 86.3 Cg_endo -82.52 -26.08 2.8 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.735 2.29 . . . . 0.0 112.248 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 2.8 mm-40 -80.56 -24.2 39.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.425 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -117.55 -49.77 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.059 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.75 99.62 1.82 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.565 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.03 93.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.713 0.292 . . . . 0.0 111.076 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.834 HG12 ' HA ' ' A' ' 61' ' ' GLN . 35.9 m -143.66 145.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.909 HD12 HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -87.6 125.47 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.147 179.679 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.578 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -98.11 111.46 23.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.695 -179.122 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.832 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.5 mp -93.78 167.42 11.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.561 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 138.71 41.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 0.0 110.945 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.62 173.78 18.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.256 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.559 ' HA ' HD11 ' A' ' 48' ' ' ILE . 5.0 p-10 -69.42 98.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.009 0.433 . . . . 0.0 110.67 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.448 ' H ' ' HG1' ' A' ' 58' ' ' THR . 1.2 mp0 -116.05 2.49 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.407 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.533 ' HA ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -46.16 -27.86 1.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.732 0.301 . . . . 0.0 111.561 -179.512 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -95.39 -23.79 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.347 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.421 ' HB3' ' CE2' ' A' ' 80' ' ' PHE . 60.5 m-80 -91.99 -32.37 15.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.681 0.276 . . . . 0.0 111.304 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.742 HD13 ' CD2' ' A' ' 98' ' ' LEU . 8.8 tp -65.22 -47.99 85.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.186 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.794 ' HB2' HD22 ' A' ' 121' ' ' LEU . 6.3 p -53.48 -35.03 60.12 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.422 0.63 . . . . 0.0 109.453 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -44.9 76.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.064 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.899 ' CE2' HD13 ' A' ' 113' ' ' ILE . 70.7 t80 -63.04 -49.46 74.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.286 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.749 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.9 mp -54.61 -30.52 54.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.1 t -95.6 -24.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.045 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -75.42 -39.38 59.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.899 HD13 ' CE2' ' A' ' 109' ' ' PHE . 11.4 pt -92.23 -24.23 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 111.365 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.97 28.4 8.27 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.861 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.812 HD22 HD11 ' A' ' 113' ' ' ILE . 4.8 tp -76.87 -70.27 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.472 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.749 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.74 -165.27 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.418 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 145.38 48.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.505 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 4.1 p30 -55.27 -32.05 62.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.384 . . . . 0.0 110.66 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -79.4 -25.65 42.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.3 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB3' HG12 ' A' ' 44' ' ' ILE . 68.6 mt-30 -85.48 -8.63 58.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.217 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.794 HD22 ' HB2' ' A' ' 107' ' ' CYS . 47.9 mt -50.91 92.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.344 . . . . 0.0 111.116 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -115.1 82.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.467 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.3 p -94.23 123.33 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.304 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 22.1 m-70 -126.71 80.72 1.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.178 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.11 120.99 17.44 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.222 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.276 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 121.028 0.442 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.437 ' HA ' ' CB ' ' A' ' 120' ' ' GLN . 20.3 m-30 -56.4 165.99 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.039 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.479 HD13 ' HA3' ' A' ' 62' ' ' GLY . 46.1 mm -114.64 92.08 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.624 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -63.73 134.2 54.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.903 -179.404 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.59 HD12 ' CG2' ' A' ' 106' ' ' ILE . 20.6 mm -93.35 -99.64 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.099 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.0 tpp180 85.42 119.45 0.04 OUTLIER 'General case' 0 C--N 1.344 0.356 0 CA-C-O 121.223 0.535 . . . . 0.0 111.957 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.809 HG23 HG22 ' A' ' 56' ' ' THR . 7.0 mt -99.65 155.02 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.38 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.414 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 5.5 pt20 -136.76 97.55 3.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.401 . . . . 0.0 111.251 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -103.99 106.79 17.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.388 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.809 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -93.69 23.76 4.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.742 0.306 . . . . 0.0 111.484 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.08 20.57 64.74 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.44 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -148.02 -40.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.62 0.248 . . . . 0.0 111.326 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -79.47 62.13 3.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.113 0.483 . . . . 0.0 110.203 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.809 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -66.17 153.94 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.258 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.569 HD13 ' OE1' ' A' ' 97' ' ' GLN . 3.1 mt -154.13 75.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.2 m -52.86 142.96 17.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -131.43 147.77 52.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.93 0.395 . . . . 0.0 111.025 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.611 HG12 HG12 ' A' ' 63' ' ' ILE . 49.9 t -120.26 114.31 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.06 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.887 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -106.53 143.48 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.453 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.479 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 112.33 -35.45 4.65 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.634 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.736 HG23 ' CD2' ' A' ' 67' ' ' TYR . 8.2 mm -46.62 151.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.375 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.48 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -86.59 146.06 26.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.867 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.46 -17.95 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.658 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -25.52 64.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.638 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.819 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.7 m-30 -52.97 -177.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.007 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.563 ' C ' HD22 ' A' ' 72' ' ' LEU . 5.7 m-20 -103.48 79.51 1.7 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.224 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.627 ' O ' HG22 ' A' ' 73' ' ' VAL . 1.6 mttm -41.12 -43.06 2.16 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -68.71 -58.73 3.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.881 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -32.28 67.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.404 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.819 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -60.93 -59.67 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.96 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.904 HG13 HD12 ' A' ' 96' ' ' ILE . 5.5 m -75.88 -28.8 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.328 . . . . 0.0 110.715 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -68.6 -52.16 34.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.907 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.63 99.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.165 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.8 ' CD2' HD22 ' A' ' 98' ' ' LEU . 13.4 t80 -46.7 -54.08 10.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.019 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 42.2 mtmt -58.47 -20.32 44.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -81.64 -18.73 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.985 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -103.82 -40.79 6.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.693 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -121.57 -11.75 8.63 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.19 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.91 39.72 10.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.408 . . . . 0.0 110.861 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.429 ' HG ' ' CD ' ' A' ' 102' ' ' GLN . 79.1 m -105.39 134.51 48.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.89 104.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.91 130.09 9.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.338 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.4 p -130.22 152.18 49.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 0.0 111.275 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.707 ' HA ' HD13 ' A' ' 96' ' ' ILE . 12.4 p -98.37 133.32 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.666 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.1 pt -147.72 140.83 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 111.436 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -97.8 72.77 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.638 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -54.73 129.41 64.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.35 -13.14 23.03 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.422 2.081 . . . . 0.0 112.442 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -86.31 -23.94 26.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.571 ' CD2' ' NE2' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -122.71 -55.37 1.82 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.805 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.66 98.01 2.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.6 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.42 93.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 111.132 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.887 HG12 ' HA ' ' A' ' 61' ' ' GLN . 34.0 m -140.03 144.1 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.904 HD12 HG13 ' A' ' 73' ' ' VAL . 1.5 mm -92.36 123.66 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.215 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.569 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -96.69 110.24 22.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.619 -179.099 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.848 HD11 HD13 ' A' ' 106' ' ' ILE . 13.6 mt -97.5 156.64 16.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.94 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -92.84 135.13 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.79 175.68 51.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.413 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -75.04 93.47 2.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.347 . . . . 0.0 110.669 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.429 ' CD ' ' HG ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -109.29 6.09 24.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.388 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.504 ' HA ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -48.74 -26.46 2.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.746 0.308 . . . . 0.0 111.216 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -99.6 -23.95 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.285 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -87.77 -43.21 12.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.138 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.848 HD13 HD11 ' A' ' 98' ' ' LEU . 4.2 tp -61.34 -49.84 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.761 ' HB2' HD22 ' A' ' 121' ' ' LEU . 26.4 p -56.77 -37.66 71.41 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.401 ' HG3' ' HG3' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -70.6 -33.37 70.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.52 178.625 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.917 ' CE2' HD13 ' A' ' 113' ' ' ILE . 84.9 t80 -72.86 -45.38 58.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.282 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.591 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.8 mp -54.75 -31.5 58.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.732 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.525 HG21 HD11 ' A' ' 121' ' ' LEU . 72.7 t -94.04 -29.96 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.401 ' HG3' ' HG3' ' A' ' 108' ' ' GLN . 3.5 mm-40 -68.79 -36.87 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.917 HD13 ' CE2' ' A' ' 109' ' ' PHE . 12.3 pt -97.02 -31.02 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.26 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.83 28.87 5.76 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.631 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.714 ' HB2' HD11 ' A' ' 113' ' ' ILE . 11.0 tp -74.05 -71.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.706 0.289 . . . . 0.0 110.664 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.13 -168.68 2.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.295 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 146.97 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.722 0.296 . . . . 0.0 110.274 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.41 -32.21 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.0 110.403 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -78.99 -22.43 45.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.174 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.453 ' HB3' HG12 ' A' ' 44' ' ' ILE . 21.0 mt-30 -89.57 -7.68 54.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.345 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.761 HD22 ' HB2' ' A' ' 107' ' ' CYS . 45.5 mt -54.07 89.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.87 0.367 . . . . 0.0 111.022 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -111.31 84.59 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.443 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.2 p -94.59 123.81 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.356 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 32.4 m-70 -128.78 75.07 1.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.07 120.33 21.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.365 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.111 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.96 0.409 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.458 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.3 m-85 -61.19 173.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.035 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 61' ' ' GLN . 23.8 mm -110.26 96.58 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.182 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.524 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.6 117.47 11.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.933 -178.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.701 HD12 ' CG2' ' A' ' 106' ' ' ILE . 34.3 mm -79.35 -97.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.335 178.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.3 132.19 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 111.974 178.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.547 HG23 HG22 ' A' ' 56' ' ' THR . 1.3 mt -113.6 156.02 14.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.298 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 3.6 pt20 -142.78 95.42 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.423 . . . . 0.0 111.109 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.546 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -99.7 97.15 8.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.617 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -55.25 -33.39 63.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -131.75 -151.38 0.46 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.848 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.57 29.94 6.41 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.343 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 56' ' ' THR . 9.8 ptp180 -178.08 -32.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.479 0.18 . . . . 0.0 111.456 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.84 70.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.937 0.399 . . . . 0.0 110.597 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.547 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -90.78 163.33 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.339 -179.462 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.539 HD22 ' OE1' ' A' ' 97' ' ' GLN . 5.6 mt -156.82 75.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.715 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.1 m -56.83 136.42 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.109 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -120.73 146.7 46.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.899 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.409 HG22 HG12 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -113.06 119.44 60.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.633 179.564 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -116.56 152.11 34.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.847 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.09 -34.89 5.27 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.085 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.924 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.5 mm -51.94 146.4 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 111.15 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.46 140.87 29.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.641 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -65.57 -19.59 65.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.697 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -70.4 -19.57 63.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.924 ' CD2' HG23 ' A' ' 63' ' ' ILE . 6.3 m-30 -51.91 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.509 ' C ' HD22 ' A' ' 72' ' ' LEU . 53.2 m-20 -92.61 76.86 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.202 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.63 -48.07 2.06 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.774 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 6.8 mtpm? -64.91 -46.67 80.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 10.98 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.048 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -105.78 -68.9 0.85 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 110.939 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.4 p -76.34 -39.54 34.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -65.46 -44.57 86.8 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.6 98.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.681 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.819 ' CD2' HD22 ' A' ' 98' ' ' LEU . 18.2 t80 -50.45 -39.01 46.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.747 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.7 mtpp -74.81 -6.67 50.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.472 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -104.84 -19.91 13.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.454 ' HD3' ' CE2' ' A' ' 80' ' ' PHE . 1.8 tttm -90.53 -46.43 8.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.324 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -115.36 -14.04 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.637 -179.587 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 69.06 43.26 1.14 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.996 0.427 . . . . 0.0 110.648 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.7 m -108.75 152.94 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.979 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.26 111.2 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.764 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.5 139.16 15.47 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.67 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.3 p -132.27 165.12 24.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.699 0.285 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.48 129.75 71.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -145.24 161.69 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.407 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -106.17 75.05 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.223 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.8 t-80 -54.44 138.57 59.36 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.497 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.12 -16.53 11.05 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -84.4 -22.48 30.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.4 m-85 -127.53 -54.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.043 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.78 100.76 2.65 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.739 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 63.57 87.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.439 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.525 HG11 ' HG3' ' A' ' 61' ' ' GLN . 17.4 m -141.31 140.08 32.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.785 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.675 ' O ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER -76.76 157.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.396 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.539 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -131.83 103.53 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.368 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.847 HD11 HD13 ' A' ' 106' ' ' ILE . 15.3 mt -91.49 156.72 17.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.897 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -93.24 135.54 34.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.884 0.373 . . . . 0.0 111.186 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.85 166.6 33.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -65.49 94.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.21 5.54 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.529 ' HA ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -47.41 -29.74 2.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.901 0.382 . . . . 0.0 111.138 -179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -25.52 17.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -85.15 -40.56 16.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.197 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.847 HD13 HD11 ' A' ' 98' ' ' LEU . 8.4 tp -61.64 -51.13 76.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.857 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.78 ' HB2' HD22 ' A' ' 121' ' ' LEU . 9.4 p -56.72 -35.0 68.05 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -33.19 68.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.572 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.888 ' CE2' HD13 ' A' ' 113' ' ' ILE . 68.0 t80 -73.89 -43.12 59.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.347 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 2.4 mp -58.02 -29.84 65.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.67 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 107' ' ' CYS . 48.9 t -93.83 -29.9 4.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.138 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.34 -36.72 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.888 HD13 ' CE2' ' A' ' 109' ' ' PHE . 6.7 pt -99.42 -23.17 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.4 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.8 32.19 8.18 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.409 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.67 ' HB2' HD11 ' A' ' 113' ' ' ILE . 8.4 tp -74.18 -69.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.075 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -94.42 -168.59 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.689 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.66 143.28 45.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.376 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.447 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.9 p-10 -53.28 -30.32 37.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.98 -26.3 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.248 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.463 ' HB3' HG12 ' A' ' 44' ' ' ILE . 76.1 mt-30 -83.8 -9.04 59.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.342 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 107' ' ' CYS . 51.8 mt -52.23 89.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.35 . . . . 0.0 111.178 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.418 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 3.1 mmtt -109.29 81.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.531 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 123' ' ' VAL . 13.2 p -91.97 117.54 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.488 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.524 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 31.2 m-70 -122.12 79.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.132 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.51 120.91 16.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.206 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.295 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.969 0.414 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.428 ' HB2' ' HG3' ' A' ' 122' ' ' LYS . 5.8 m-85 -69.22 172.78 6.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.448 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.681 HG23 ' O ' ' A' ' 61' ' ' GLN . 24.5 mm -109.13 101.01 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.137 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -79.24 116.4 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.068 -178.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.696 HD12 HG21 ' A' ' 106' ' ' ILE . 38.5 mm -70.57 -92.74 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.992 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.556 ' HA ' ' O ' ' A' ' 124' ' ' HIS . 0.1 OUTLIER 89.06 118.65 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.06 0.457 . . . . 0.0 112.099 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.819 HG23 HG22 ' A' ' 56' ' ' THR . 12.6 mt -104.21 158.69 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.147 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.473 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.0 pt20 -143.01 94.43 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.96 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.509 ' CG ' HG23 ' A' ' 56' ' ' THR . 1.4 tt0 -101.5 104.69 15.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.482 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -78.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.501 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -96.51 38.03 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 111.152 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.63 22.74 68.26 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.226 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 30.6 ptt180 -148.92 -47.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 0.0 110.992 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -72.79 64.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 0.0 110.228 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.819 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -74.26 150.96 40.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.36 -179.339 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.733 HD13 ' NE2' ' A' ' 97' ' ' GLN . 6.4 mt -150.28 79.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.42 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 60.4 m -59.72 123.64 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.394 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -103.21 161.29 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.005 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.615 HG22 HG12 ' A' ' 106' ' ' ILE . 21.5 t -128.63 116.95 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.05 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.681 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -111.71 153.61 26.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.629 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.27 -42.57 1.93 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.457 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.942 HG23 ' CD2' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -48.08 145.45 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.015 0.436 . . . . 0.0 110.947 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.45 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -81.3 161.6 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.506 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -79.44 -14.09 59.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.168 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -94.45 26.81 3.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.942 ' CD2' HG23 ' A' ' 63' ' ' ILE . 3.8 m-30 -92.14 19.32 7.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.288 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.05 77.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.881 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.508 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -39.83 -33.17 0.18 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.34 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -65.59 -51.13 62.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.588 179.556 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 25.01 2.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.416 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 115' ' ' LEU . 1.7 tt -115.77 -50.44 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.346 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.888 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -94.46 -36.39 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.405 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -56.98 -41.06 77.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.998 0.427 . . . . 0.0 110.26 179.533 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.648 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.05 -28.4 69.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.402 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.618 ' CD2' HD22 ' A' ' 98' ' ' LEU . 6.5 t80 -64.49 -49.54 70.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.487 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 9.1 mtmt -63.34 -17.27 62.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -20.46 22.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.107 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -98.58 -47.99 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.588 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.51 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -115.15 -18.58 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.76 -179.379 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 72.99 41.63 0.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.992 0.425 . . . . 0.0 110.842 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.54 147.03 32.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.23 104.21 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.69 107.28 3.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.529 ' O ' HD13 ' A' ' 96' ' ' ILE . 68.0 p -107.33 162.24 14.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 111.069 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.4 p -114.05 68.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.844 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.678 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.5 pt -74.38 156.46 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.029 0.442 . . . . 0.0 111.63 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -109.62 73.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.14 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -54.47 134.13 62.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.322 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.85 -16.39 14.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.545 2.163 . . . . 0.0 112.36 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.481 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -84.32 -23.96 30.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.434 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.3 m-85 -122.21 -53.33 1.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.71 99.14 2.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.574 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.03 94.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 111.291 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 89' ' ' HIS . 17.7 m -143.77 145.37 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.65 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.888 HD12 ' CG1' ' A' ' 73' ' ' VAL . 2.8 mm -82.12 128.31 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.879 0.371 . . . . 0.0 110.577 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.733 ' NE2' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -104.69 110.14 22.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.71 -179.021 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.973 HD11 HD13 ' A' ' 106' ' ' ILE . 6.3 mt -95.67 157.67 15.79 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.54 139.2 30.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.874 0.368 . . . . 0.0 111.117 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.36 173.1 35.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -74.06 94.71 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.504 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.426 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -105.13 9.79 34.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.595 ' O ' HG21 ' A' ' 123' ' ' VAL . 3.4 ptt85 -47.33 -28.81 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.73 0.3 . . . . 0.0 111.212 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.26 -21.48 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.325 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -89.62 -39.54 13.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.184 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.973 HD13 HD11 ' A' ' 98' ' ' LEU . 7.8 tp -62.31 -51.82 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.96 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.681 ' HB2' HD22 ' A' ' 121' ' ' LEU . 6.0 p -56.92 -32.33 65.83 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -73.31 -33.66 65.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.657 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.905 ' CE2' HD13 ' A' ' 113' ' ' ILE . 77.3 t80 -74.42 -44.65 50.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.379 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.585 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.0 mp -58.04 -29.48 65.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 107' ' ' CYS . 46.7 t -92.64 -31.05 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.993 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.06 -41.62 77.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.905 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.1 pt -92.22 -19.88 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.431 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.38 30.36 14.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.563 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.75 HD22 HD11 ' A' ' 113' ' ' ILE . 7.4 tp -74.52 -67.43 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -96.85 176.94 5.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 146.82 28.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.581 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -54.61 -30.95 56.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.006 0.431 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -78.56 -23.1 46.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.365 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.477 ' HB3' HG12 ' A' ' 44' ' ' ILE . 75.3 mt-30 -87.32 -11.6 48.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.107 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 107' ' ' CYS . 39.5 mt -50.53 89.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.977 0.418 . . . . 0.0 111.389 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.428 ' HG3' ' HB2' ' A' ' 43' ' ' TYR . 11.7 mmtt -113.32 81.01 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.076 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.595 HG21 ' O ' ' A' ' 103' ' ' ARG . 12.0 p -94.22 128.86 45.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.163 -178.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.556 ' O ' ' HA ' ' A' ' 47' ' ' ARG . 1.7 m-70 -146.66 91.5 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.715 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 126' ' ' PHE . . . -45.95 -93.74 0.01 OUTLIER Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.56 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.425 ' CZ ' ' OE1' ' A' ' 50' ' ' GLN . 1.3 p90 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.857 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.909 0.385 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.9 m-30 -67.6 174.54 3.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.774 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.445 HG12 ' HB3' ' A' ' 120' ' ' GLN . 19.3 mm -113.04 97.89 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.462 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -70.16 131.11 43.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.71 -179.287 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.785 HD12 HG21 ' A' ' 106' ' ' ILE . 31.0 mm -91.16 -99.27 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.41 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 7.1 tpt180 92.96 130.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.357 0.599 . . . . 0.0 112.457 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.782 HD11 ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -106.03 166.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.027 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.552 ' N ' HG23 ' A' ' 48' ' ' ILE . 6.6 pt20 -157.17 98.12 1.7 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.177 0.513 . . . . 0.0 111.061 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.2 tt0 -99.63 93.75 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.809 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -55.82 21.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -104.45 -150.95 0.43 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.722 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.4 37.19 3.43 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.213 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.1 OUTLIER 174.52 -29.3 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -65.05 68.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.996 0.427 . . . . 0.0 111.223 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.861 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -87.78 149.53 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.949 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.861 HD12 ' O ' ' A' ' 56' ' ' THR . 3.3 mp -144.78 86.34 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -62.92 122.78 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.303 . . . . 0.0 111.194 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -99.85 167.14 10.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.414 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.54 HG22 HG12 ' A' ' 106' ' ' ILE . 49.0 t -137.11 115.22 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.008 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.529 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -116.59 141.02 48.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.48 -30.33 7.32 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.127 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.879 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -60.77 145.79 12.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.95 0.405 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.785 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.84 148.5 31.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.15 -7.24 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.201 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -94.85 23.3 5.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.395 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.879 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.5 m-30 -89.06 22.35 2.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.424 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 70' ' ' LYS . 3.6 t70 78.76 -14.76 0.83 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.873 ' HE3' HG11 ' A' ' 86' ' ' VAL . 12.6 tttt 62.98 -76.39 0.03 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.795 0.331 . . . . 0.0 111.15 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -53.05 -58.97 5.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.208 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -53.45 -24.08 11.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.442 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.654 HD13 HG13 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -66.61 -57.98 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.219 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.874 ' CG1' HD12 ' A' ' 96' ' ' ILE . 2.3 m -87.45 -29.13 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.474 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -43.66 74.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.652 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -70.73 -30.95 67.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.458 ' CD1' HD22 ' A' ' 98' ' ' LEU . 6.3 t80 -64.07 -47.4 80.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.25 -13.77 59.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.361 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -100.59 -19.31 16.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.585 0.231 . . . . 0.0 111.298 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.436 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 5.7 tttm -98.08 -37.63 9.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.604 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.524 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 7.5 m-85 -114.45 -18.15 11.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.21 33.88 1.1 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 26.7 m -108.44 179.19 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.6 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.739 ' ND2' HG23 ' A' ' 85' ' ' THR . 0.0 OUTLIER -100.64 118.3 36.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.421 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.65 106.64 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.271 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.739 HG23 ' ND2' ' A' ' 83' ' ' ASN . 35.2 p -104.3 156.68 17.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.873 HG11 ' HE3' ' A' ' 69' ' ' LYS . 9.2 p -116.47 71.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -81.67 149.78 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.274 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -103.76 73.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.522 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -57.45 136.94 81.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.094 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.56 -20.62 10.65 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.555 2.17 . . . . 0.0 112.26 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -79.43 -24.18 42.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.461 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -120.09 -49.5 2.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.11 -179.686 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.24 96.7 2.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 62.06 91.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 61' ' ' GLN . 19.4 m -137.58 143.85 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.874 HD12 ' CG1' ' A' ' 73' ' ' VAL . 1.4 mm -83.4 127.71 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.363 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.413 ' OE1' HD23 ' A' ' 57' ' ' LEU . 1.9 mt-30 -102.32 106.22 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.368 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.98 HD11 HD13 ' A' ' 106' ' ' ILE . 8.6 mt -89.96 159.91 16.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.898 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -94.07 141.81 28.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.964 0.411 . . . . 0.0 111.374 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 73.64 -179.5 40.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.591 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.782 ' HA ' HD11 ' A' ' 48' ' ' ILE . 30.9 p-10 -80.9 90.03 5.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.718 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.464 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -103.25 13.99 32.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.123 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.94 -27.3 3.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -103.06 -21.95 13.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.102 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -85.74 -37.25 19.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.98 HD13 HD11 ' A' ' 98' ' ' LEU . 6.8 tp -62.95 -52.45 59.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.979 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.788 ' HB3' HD22 ' A' ' 121' ' ' LEU . 71.0 m -58.04 -30.44 66.15 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -73.96 -32.81 63.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.575 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.919 ' CE2' HD13 ' A' ' 113' ' ' ILE . 76.0 t80 -75.83 -44.81 39.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.389 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.692 HD23 ' CB ' ' A' ' 116' ' ' ALA . 6.3 mp -57.07 -30.53 64.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.604 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 107' ' ' CYS . 60.1 t -90.84 -31.11 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.76 -42.01 74.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.919 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.2 pt -91.52 -19.97 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.403 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.03 33.99 11.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.561 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.891 HD22 HD11 ' A' ' 113' ' ' ILE . 6.1 tp -78.24 -70.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.0 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.692 ' CB ' HD23 ' A' ' 110' ' ' LEU . . . -92.41 -179.72 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.731 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.511 ' HB2' HE21 ' A' ' 120' ' ' GLN . 0.0 OUTLIER -101.81 154.81 18.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.549 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -29.03 70.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.99 0.424 . . . . 0.0 110.241 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -81.54 -29.13 33.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.169 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.511 HE21 ' HB2' ' A' ' 117' ' ' LYS . 75.1 mt-30 -78.73 -10.72 59.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.217 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.788 HD22 ' HB3' ' A' ' 107' ' ' CYS . 62.4 mt -51.85 88.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.979 0.418 . . . . 0.0 111.122 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.8 mmtt -111.12 89.16 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.54 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.6 p -94.26 125.66 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.866 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.523 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 20.8 m-70 -135.95 36.1 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.953 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.441 ' CA ' ' HB ' ' A' ' 48' ' ' ILE . . . -56.46 88.32 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.58 -0.736 . . . . 0.0 113.088 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.437 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.022 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.6 t0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.92 0.39 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.45 ' O ' HD13 ' A' ' 44' ' ' ILE . 18.9 m-30 -69.43 172.57 6.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 43' ' ' TYR . 15.9 mm -116.06 96.53 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.047 0.451 . . . . 0.0 110.522 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.513 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -66.81 122.99 18.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.948 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.691 HD12 ' CG2' ' A' ' 106' ' ' ILE . 30.1 mm -84.18 -96.85 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.043 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.85 125.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.321 0.582 . . . . 0.0 112.429 178.713 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.899 HG23 HG22 ' A' ' 56' ' ' THR . 5.3 mt -109.71 154.96 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.813 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HG3' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -138.15 94.17 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.016 0.436 . . . . 0.0 111.242 179.508 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.646 ' CG ' HG23 ' A' ' 56' ' ' THR . 2.7 tt0 -102.61 125.58 49.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.595 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.68 128.25 36.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.256 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.0 t30 51.47 29.23 5.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.267 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.59 17.14 76.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.387 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -145.66 -175.85 4.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.597 0.237 . . . . 0.0 110.772 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt 40.67 78.26 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.867 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.899 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -86.86 151.81 23.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.132 -179.261 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 56' ' ' THR . 1.1 mp -146.09 88.37 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -66.73 123.44 20.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.812 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.525 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -104.64 158.97 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 0.0 111.229 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.486 HG22 HG12 ' A' ' 106' ' ' ILE . 66.4 t -126.83 113.91 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.0 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.578 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -118.05 140.78 49.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.347 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.74 -27.67 9.08 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.881 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.83 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.1 mm -64.49 147.74 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.982 0.42 . . . . 0.0 111.023 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.754 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -76.04 145.0 40.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.352 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.64 -9.06 58.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.257 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -94.16 23.09 5.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.297 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.83 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.4 m-30 -90.02 19.27 5.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.486 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 49.36 86.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.784 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.431 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.3 mptt -36.74 -38.8 0.18 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.529 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -61.35 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.088 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -79.65 59.17 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.258 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.639 HD21 HD21 ' A' ' 115' ' ' LEU . 1.8 tt -156.2 -66.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.24 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.639 ' HB ' HD12 ' A' ' 96' ' ' ILE . 13.6 p -89.28 -33.53 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.992 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -61.22 -41.41 96.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.073 0.463 . . . . 0.0 109.984 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.32 -29.2 70.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.585 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CE1' HD21 ' A' ' 98' ' ' LEU . 13.2 t80 -57.65 -54.46 46.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.663 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -63.87 -13.21 43.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.313 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -96.36 -19.31 19.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.654 0.264 . . . . 0.0 111.094 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -94.69 -46.1 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.715 -179.417 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 1.3 m-85 -109.83 -15.24 14.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.93 28.68 0.85 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 60.9 m -96.35 -170.72 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.63 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.4 OUTLIER -110.13 108.59 18.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.118 0.485 . . . . 0.0 110.827 179.82 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.51 ' HA2' HD12 ' A' ' 98' ' ' LEU . . . -105.17 135.37 12.53 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.378 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.625 ' O ' HD13 ' A' ' 96' ' ' ILE . 12.9 p -139.05 167.91 21.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 111.3 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.4 p -121.69 140.02 46.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.4 HD13 ' CD ' ' A' ' 97' ' ' GLN . 16.6 pt -150.37 145.4 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.354 . . . . 0.0 111.368 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 94' ' ' GLU . 20.4 tt0 -98.81 70.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.037 0.446 . . . . 0.0 110.549 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.443 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 3.1 t-80 -53.29 142.47 38.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.197 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 97.2 Cg_endo -80.49 -26.5 3.94 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.583 2.188 . . . . 0.0 112.444 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.3 -20.97 31.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.601 ' HD2' HG21 ' A' ' 95' ' ' VAL . 1.2 m-85 -116.12 -49.94 2.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.051 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.49 97.86 1.39 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.689 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 88' ' ' GLU . 2.9 tp10 61.58 84.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.291 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.601 HG21 ' HD2' ' A' ' 92' ' ' TYR . 16.4 m -136.35 141.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.85 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.639 HD12 ' HB ' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -79.6 141.23 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.124 179.803 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.726 ' CD ' HD23 ' A' ' 57' ' ' LEU . 1.7 tt0 -114.15 101.94 9.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.921 0.391 . . . . 0.0 111.734 -179.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.597 HD21 ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -81.94 170.12 15.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.837 178.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -108.98 138.28 45.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.319 . . . . 0.0 110.825 179.628 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 72.06 169.24 11.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.08 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -67.05 89.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.437 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -104.04 4.9 34.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.919 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.545 ' HB2' HG23 ' A' ' 123' ' ' VAL . 4.5 ptm180 -46.85 -27.9 1.39 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.847 0.356 . . . . 0.0 111.159 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -93.43 -25.67 17.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -88.81 -36.61 15.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.129 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.691 ' CG2' HD12 ' A' ' 46' ' ' ILE . 7.4 tp -62.36 -52.0 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.837 ' HB2' HD22 ' A' ' 121' ' ' LEU . 4.7 p -55.89 -36.1 67.27 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -33.17 70.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.546 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.879 ' CE2' HD13 ' A' ' 113' ' ' ILE . 75.5 t80 -71.8 -44.45 63.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.509 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.666 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.4 mp -58.09 -30.13 66.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.63 -27.14 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.85 -37.32 64.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.904 HD11 HD22 ' A' ' 115' ' ' LEU . 9.4 pt -95.48 -19.09 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.525 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.31 30.05 15.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.657 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.904 HD22 HD11 ' A' ' 113' ' ' ILE . 5.6 tp -77.97 -70.26 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.666 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -95.76 -167.3 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.57 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.676 ' HB2' HE21 ' A' ' 120' ' ' GLN . 0.0 OUTLIER -121.09 158.36 28.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.587 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.407 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.5 m-20 -63.55 -26.28 68.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.992 0.425 . . . . 0.0 110.413 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -81.81 -31.91 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.676 HE21 ' HB2' ' A' ' 117' ' ' LYS . 65.1 mt-30 -77.85 -11.9 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.228 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.837 HD22 ' HB2' ' A' ' 107' ' ' CYS . 79.2 mt -50.07 92.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.951 0.405 . . . . 0.0 111.133 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.412 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 2.1 mmtt -111.15 75.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.3 p -88.91 112.91 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.136 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.513 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 40.7 m-70 -114.07 -32.7 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.339 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.36 -113.87 5.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.051 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 2.0 p90 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.466 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 120.969 0.414 . . . . 0.0 111.162 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.47 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.9 m-30 -65.02 168.05 7.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -110.68 100.9 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.997 179.476 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.526 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -77.38 120.05 21.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.141 -178.787 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.728 HD12 ' CG2' ' A' ' 106' ' ' ILE . 34.4 mm -77.56 -97.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.197 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 83.48 126.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.218 0.532 . . . . 0.0 112.367 178.558 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.642 ' CG2' HG22 ' A' ' 56' ' ' THR . 40.9 mt -104.18 158.69 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.038 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.458 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.1 pt20 -136.01 87.53 2.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.915 0.388 . . . . 0.0 110.67 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HG3' HG23 ' A' ' 56' ' ' THR . 3.5 tt0 -92.83 106.9 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.328 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.85 123.44 27.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.087 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 t30 64.06 21.88 12.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.709 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.68 30.81 76.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.9 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.424 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 33.8 mmm-85 -144.57 -58.31 0.36 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.73 0.265 . . . . 0.0 111.487 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -65.73 71.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.945 0.403 . . . . 0.0 111.024 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.642 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -75.96 130.29 38.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.942 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.631 HD23 ' HG2' ' A' ' 97' ' ' GLN . 1.1 mp -139.57 96.24 3.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.594 HG21 ' N ' ' A' ' 103' ' ' ARG . 0.2 OUTLIER -71.67 117.58 13.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.021 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -103.01 147.37 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.406 . . . . 0.0 110.844 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 106' ' ' ILE . 1.7 t -113.25 113.82 45.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.591 ' HG3' HG11 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -114.21 141.36 47.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.596 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 44' ' ' ILE . . . 113.36 -21.43 17.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.751 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.9 HG23 ' CE2' ' A' ' 67' ' ' TYR . 3.0 mm -66.66 150.24 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.663 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -88.74 131.58 34.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.602 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.44 -20.5 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.53 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.89 -23.03 67.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.735 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.9 ' CE2' HG23 ' A' ' 63' ' ' ILE . 6.8 m-30 -51.65 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.985 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.64 65.58 2.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.163 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -32.69 -42.81 0.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.874 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -55.67 -55.37 32.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -81.74 -22.79 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.815 HD11 HD21 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -51.78 -66.64 0.35 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.089 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.651 HG22 ' HE2' ' A' ' 77' ' ' LYS . 7.7 p -79.0 -38.81 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.482 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 5.1 tttm -53.2 -45.23 68.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.833 0.349 . . . . 0.0 110.787 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.85 -30.07 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.626 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.722 ' CD2' HD22 ' A' ' 98' ' ' LEU . 10.5 t80 -63.91 -47.11 81.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.651 ' HE2' HG22 ' A' ' 73' ' ' VAL . 27.0 mtmt -67.9 -12.35 60.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.201 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -96.88 -18.42 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.959 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 5.4 tttm -99.44 -48.5 4.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.441 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 0.6 OUTLIER -110.51 -12.57 14.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.798 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.71 46.13 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 0.0 110.648 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.3 m -112.4 136.27 52.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.946 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.43 95.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.549 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -103.28 131.43 10.62 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.477 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.2 p -139.08 123.46 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 111.547 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.6 p -83.37 117.79 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.756 HD12 ' HB2' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -130.93 149.4 33.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.757 0.313 . . . . 0.0 111.185 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -86.13 79.92 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.039 0.447 . . . . 0.0 110.479 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.498 ' HB2' HG22 ' A' ' 95' ' ' VAL . 2.2 t-80 -57.53 141.08 79.33 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.314 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.63 -17.19 8.75 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.687 2.258 . . . . 0.0 112.505 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.423 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -83.15 -23.68 32.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.966 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.4 m-85 -129.57 -53.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.99 106.95 2.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.63 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 66.73 76.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 0.0 111.51 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.598 ' O ' HD13 ' A' ' 87' ' ' ILE . 35.5 m -138.6 140.52 39.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.434 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 59' ' ' THR . 0.8 OUTLIER -73.46 154.53 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.343 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.756 ' HB2' HD12 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -128.2 95.21 4.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.187 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.722 HD22 ' CD2' ' A' ' 76' ' ' PHE . 73.8 mt -85.68 158.16 20.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.405 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.42 141.16 30.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.83 -176.34 54.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.503 ' HA ' HD13 ' A' ' 48' ' ' ILE . 11.2 p-10 -85.17 80.14 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.038 0.447 . . . . 0.0 110.447 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.506 ' C ' HG21 ' A' ' 58' ' ' THR . 0.2 OUTLIER -98.24 13.13 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.172 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.594 ' N ' HG21 ' A' ' 58' ' ' THR . 0.0 OUTLIER -46.88 -36.71 7.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 110.967 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.5 -26.25 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.246 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.434 ' HB2' ' HG3' ' A' ' 102' ' ' GLN . 1.4 m-20 -70.28 -47.05 62.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.714 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.728 ' CG2' HD12 ' A' ' 46' ' ' ILE . 10.0 tp -61.83 -49.34 84.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.614 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.831 ' SG ' HD22 ' A' ' 121' ' ' LEU . 21.7 t -56.22 -32.96 64.91 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.412 ' HG3' ' HG3' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -74.69 -37.8 62.55 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.59 178.76 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.819 ' CE2' HD13 ' A' ' 113' ' ' ILE . 77.3 t80 -68.51 -50.49 51.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.33 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.644 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 3.3 mp -56.08 -28.94 59.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.632 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 107' ' ' CYS . 57.5 t -91.97 -30.88 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.939 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.412 ' HG3' ' HG3' ' A' ' 108' ' ' GLN . 3.8 mm-40 -70.83 -40.82 72.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.819 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.4 pt -93.18 -14.01 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.586 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.98 33.73 26.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.84 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.872 HD11 ' CD2' ' A' ' 67' ' ' TYR . 11.6 tp -79.98 -76.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.645 0.26 . . . . 0.0 111.163 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -74.54 -163.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.424 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 144.38 49.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.373 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.4 p-10 -55.43 -30.13 59.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -78.38 -21.31 49.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.152 0.501 . . . . 0.0 109.878 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.495 ' HB3' HD13 ' A' ' 44' ' ' ILE . 34.7 mt-30 -100.65 -9.5 21.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.315 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.831 HD22 ' SG ' ' A' ' 107' ' ' CYS . 31.0 mt -55.26 92.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 110.789 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -114.16 87.33 2.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.033 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.4 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 13.8 p -100.47 128.93 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.039 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.526 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 9.8 m-70 -134.66 87.11 2.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.784 0.326 . . . . 0.0 111.59 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.97 117.87 12.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.996 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.315 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 121.058 0.456 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.465 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.8 m-30 -89.04 171.41 9.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.022 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.61 HG13 ' HB2' ' A' ' 116' ' ' ALA . 24.2 mm -107.94 97.1 5.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.355 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -71.03 115.89 10.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.941 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.634 HD12 ' CG2' ' A' ' 106' ' ' ILE . 31.6 mm -74.24 -95.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.387 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 9.9 tpt180 85.74 120.87 0.04 OUTLIER 'General case' 0 C--N 1.344 0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 112.048 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.69 ' CG2' HG22 ' A' ' 56' ' ' THR . 11.4 mt -108.41 156.58 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.278 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.5 pt20 -134.81 100.33 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.606 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.513 ' HG3' HG23 ' A' ' 56' ' ' THR . 3.0 tt0 -100.75 115.37 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.276 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.403 ' HB2' ' CB ' ' A' ' 55' ' ' LYS . 4.1 mtp85 -100.46 137.33 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 59.54 21.4 9.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.894 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.12 46.91 92.26 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.63 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 13.7 ptm180 -175.12 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.691 0.282 . . . . 0.0 111.35 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -69.97 68.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.992 0.425 . . . . 0.0 110.76 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.742 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -79.92 138.83 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.99 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 56' ' ' THR . 1.4 mp -145.32 97.82 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.607 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.486 HG23 ' CG1' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -71.17 126.46 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.213 -179.659 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -108.64 155.34 20.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.892 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 106' ' ' ILE . 55.0 t -123.65 117.83 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.298 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.796 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -115.16 140.33 49.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.345 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.0 -40.88 2.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.948 HG23 ' CD2' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -48.52 148.02 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-O 120.786 0.326 . . . . 0.0 110.325 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.5 165.36 13.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.062 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.37 -28.2 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.262 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.93 -29.83 70.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.175 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.948 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.0 m-30 -52.77 117.87 3.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.49 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.83 ' O ' HD22 ' A' ' 72' ' ' LEU . 3.7 m-20 -49.29 97.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.36 . . . . 0.0 111.042 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HD2' HG11 ' A' ' 86' ' ' VAL . 12.2 ttpp -41.64 -56.59 2.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.622 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 22.2 mttp -59.26 -49.16 78.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.402 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.555 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 16.5 tptt -56.1 -16.72 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.57 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.935 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -99.12 -63.25 1.14 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.481 0.181 . . . . 0.0 111.312 -179.563 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 74' ' ' LYS . 8.5 p -78.36 -46.44 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.703 0.287 . . . . 0.0 111.224 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.463 ' N ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -61.69 -43.64 98.46 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.326 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -66.61 -39.16 88.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.075 178.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.797 ' CD2' HD22 ' A' ' 98' ' ' LEU . 18.1 t80 -50.64 -39.65 51.04 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -74.33 -6.61 49.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.32 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -104.31 -22.2 13.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.845 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.29 -43.37 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.373 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -116.86 -14.1 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.687 -179.422 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 69.45 37.86 1.91 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.6 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.7 t -107.1 157.91 17.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.931 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.99 125.36 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -133.63 146.33 18.27 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.64 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.448 ' O ' HD13 ' A' ' 96' ' ' ILE . 29.6 p -143.54 161.43 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.709 0.29 . . . . 0.0 110.852 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.609 ' O ' HG13 ' A' ' 86' ' ' VAL . 10.2 p -110.26 107.68 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -111.66 159.91 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 111.347 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -106.68 73.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.045 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -49.11 139.23 13.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.605 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.34 -20.0 11.4 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.56 2.173 . . . . 0.0 112.105 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.444 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -80.75 -23.62 39.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -119.67 -50.48 2.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 118.38 -17.17 11.45 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.331 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.3 105.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.918 0.359 . . . . 0.0 111.052 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.796 HG12 ' HA ' ' A' ' 61' ' ' GLN . 15.6 m -152.25 151.77 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.538 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -78.1 158.14 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.515 ' CD ' HD23 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -132.17 90.68 2.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.839 0.352 . . . . 0.0 111.484 -179.278 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 106' ' ' ILE . 13.7 mt -78.04 157.82 29.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.049 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.45 147.05 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 69.27 177.91 17.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.221 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.451 ' HA ' HD13 ' A' ' 48' ' ' ILE . 14.2 p-10 -79.23 95.05 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.406 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.5 mp0 -106.48 7.99 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.442 ' HB2' ' CG2' ' A' ' 123' ' ' VAL . 0.0 OUTLIER -48.54 -27.61 2.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 111.184 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -93.25 -24.46 18.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -92.42 -36.26 13.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.268 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 1.023 HD13 HD11 ' A' ' 98' ' ' LEU . 8.0 tp -63.73 -50.79 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.034 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.7 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -57.82 -35.15 70.46 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.432 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -31.31 64.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.495 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.88 ' CE2' HD13 ' A' ' 113' ' ' ILE . 76.6 t80 -71.18 -53.47 14.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.531 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.462 ' CD2' HG21 ' A' ' 44' ' ' ILE . 4.7 mp -55.63 -27.15 48.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.555 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 107' ' ' CYS . 60.5 t -90.13 -30.11 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.26 -52.76 12.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.819 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.88 HD13 ' CE2' ' A' ' 109' ' ' PHE . 11.7 pt -76.52 -13.99 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.61 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.84 30.19 29.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.584 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.775 HD22 HD11 ' A' ' 113' ' ' ILE . 8.3 tp -73.2 -66.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.417 . . . . 0.0 111.061 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.61 ' HB2' HG13 ' A' ' 44' ' ' ILE . . . -108.16 170.02 8.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.05 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.53 152.31 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -55.79 -28.36 55.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.701 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.47 -30.82 42.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.248 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 53.4 mt-30 -74.03 -15.45 61.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.112 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.631 HD22 ' SG ' ' A' ' 107' ' ' CYS . 79.8 mt -51.94 92.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.068 0.461 . . . . 0.0 111.201 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.411 ' HG3' ' HB2' ' A' ' 43' ' ' TYR . 5.1 mmtt -112.23 74.06 0.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.692 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.8 p -91.28 120.95 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.529 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 24.6 m-70 -120.66 -20.2 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.588 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.12 -110.57 1.36 Allowed Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.598 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.925 0.393 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 15.7 m-85 -65.33 175.88 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.0 mm -113.13 96.77 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.077 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.34 139.89 56.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.809 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.84 HD13 HG22 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -141.63 107.69 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.544 179.411 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' CG ' ' HB2' ' A' ' 124' ' ' HIS . 50.3 mtp180 -120.76 154.49 35.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.307 -178.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.717 HG23 HG22 ' A' ' 56' ' ' THR . 14.6 mt -109.28 156.63 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.442 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.438 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 7.7 pt20 -138.32 88.46 2.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.506 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.591 ' HG3' HG23 ' A' ' 56' ' ' THR . 2.5 tt0 -91.43 108.08 19.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.384 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -81.58 120.36 24.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.382 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 66.55 22.07 10.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.753 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.79 25.45 75.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.993 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -142.77 -66.07 0.39 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.843 0.322 . . . . 0.0 111.469 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -59.22 82.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.76 HG21 ' CG ' ' A' ' 101' ' ' ASP . 0.2 OUTLIER -87.68 138.96 31.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.191 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.683 HD23 ' CD ' ' A' ' 97' ' ' GLN . 1.1 mp -141.65 86.59 2.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.8 m -62.26 113.98 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.49 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -99.0 166.62 11.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.784 179.444 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.84 HG22 HD13 ' A' ' 46' ' ' ILE . 47.3 t -135.36 129.81 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.405 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -125.85 141.34 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.29 179.408 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.12 -24.01 13.29 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.952 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.932 HG23 ' CE2' ' A' ' 67' ' ' TYR . 2.9 mm -69.97 148.17 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 0.0 110.562 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.661 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -92.49 130.14 38.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.461 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -58.33 -21.95 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -61.51 -21.21 64.03 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.818 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.932 ' CE2' HG23 ' A' ' 63' ' ' ILE . 7.1 m-30 -52.05 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.731 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -51.55 -26.54 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.093 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 0.5 OUTLIER 61.29 -81.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.621 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.8 OUTLIER -56.86 -50.88 71.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 179.498 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.463 ' HD2' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -75.53 -22.05 57.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.802 179.528 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.924 HD21 HD21 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -54.07 -60.51 3.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.561 HG21 ' C ' ' A' ' 84' ' ' GLY . 12.0 p -85.57 -36.66 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.434 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -44.0 69.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 0.0 110.601 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.463 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . . . -61.71 -30.58 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.465 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.633 ' CZ ' HD13 ' A' ' 98' ' ' LEU . 8.9 t80 -61.96 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.635 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 21.0 mtmt -71.56 -8.97 57.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.248 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -101.54 -19.58 15.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.321 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -99.28 -46.75 5.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.242 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 1.1 m-85 -109.82 -12.84 14.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.553 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 61.56 46.46 7.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.01 0.433 . . . . 0.0 110.66 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 55.9 m -116.02 135.53 53.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.57 95.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.561 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -103.93 137.2 13.4 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.523 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.1 p -132.0 159.26 39.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.961 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 86' ' ' VAL . 8.3 p -115.06 83.14 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.4 pt -91.53 156.76 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 111.621 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -110.16 73.96 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.019 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -50.98 132.08 29.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.296 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.47 -15.06 19.93 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.445 2.097 . . . . 0.0 112.153 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.1 OUTLIER -84.69 -23.56 29.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -125.26 -53.15 1.61 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.002 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.75 -102.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.1 87.7 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.811 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 61' ' ' GLN . 26.8 m -117.62 135.81 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.314 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.2 mm -74.84 150.92 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.983 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.683 ' CD ' HD23 ' A' ' 57' ' ' LEU . 1.4 tt0 -124.03 107.24 11.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.926 0.393 . . . . 0.0 111.278 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.857 HD11 HD13 ' A' ' 106' ' ' ILE . 82.0 mt -94.18 158.16 15.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.056 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.95 132.45 41.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.63 174.59 50.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.248 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.76 ' CG ' HG21 ' A' ' 56' ' ' THR . 0.5 OUTLIER -78.57 76.07 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.995 0.426 . . . . 0.0 110.624 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.7 mp0 -88.38 9.03 24.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -28.93 1.21 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.871 0.367 . . . . 0.0 111.166 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -23.37 16.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 108' ' ' GLN . 26.6 m-80 -86.74 -35.31 19.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.734 0.302 . . . . 0.0 111.215 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.857 HD13 HD11 ' A' ' 98' ' ' LEU . 8.0 tp -65.68 -47.72 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.771 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.485 ' N ' HG23 ' A' ' 106' ' ' ILE . 7.4 m -55.81 -31.87 63.04 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 105' ' ' ASN . 36.1 mm-40 -69.0 -44.24 73.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.769 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.873 ' CE2' HD13 ' A' ' 113' ' ' ILE . 60.4 t80 -61.1 -55.96 26.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.25 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.8 mp -52.63 -29.23 25.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.038 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 107' ' ' CYS . 91.6 t -93.19 -26.92 4.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.207 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.97 -44.25 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.981 HD11 HD22 ' A' ' 115' ' ' LEU . 11.4 pt -87.59 -11.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.67 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.18 36.11 28.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.775 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.981 HD22 HD11 ' A' ' 113' ' ' ILE . 5.3 tp -84.19 -73.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.708 0.29 . . . . 0.0 111.14 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.717 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -83.83 -162.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.495 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.491 ' HB2' ' NE2' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -124.15 147.84 47.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.683 0.278 . . . . 0.0 110.449 179.447 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -58.92 -32.13 69.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.988 0.423 . . . . 0.0 110.393 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -80.4 -27.82 38.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.112 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.491 ' NE2' ' HB2' ' A' ' 117' ' ' LYS . 75.6 mt-30 -80.86 -7.75 59.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.163 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.45 HD22 ' SG ' ' A' ' 107' ' ' CYS . 62.6 mt -54.37 87.57 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.909 0.385 . . . . 0.0 110.988 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 120' ' ' GLN . 7.2 mmtt -106.33 76.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.98 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 123' ' ' VAL . 12.1 p -88.47 117.43 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 47' ' ' ARG . 67.1 m-70 -116.19 80.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -54.2 118.53 9.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.27 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.238 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.006 0.431 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.405 ' HB3' ' CG ' ' A' ' 122' ' ' LYS . 21.6 m-30 -62.27 163.74 7.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.163 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 63' ' ' ILE . 43.4 mm -114.74 99.89 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.372 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -72.05 124.41 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.126 -178.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.794 HD12 HG21 ' A' ' 106' ' ' ILE . 22.3 mm -86.0 -97.24 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.869 178.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.96 137.58 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.399 0.619 . . . . 0.0 112.462 178.483 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.786 HG23 HG22 ' A' ' 56' ' ' THR . 5.7 mt -117.34 155.25 19.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.285 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.415 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 3.6 pt20 -140.55 98.11 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.067 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -97.05 105.42 17.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.611 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -59.49 -80.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.556 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -91.85 47.48 1.36 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.256 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.71 26.09 23.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.369 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.16 -39.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.677 0.275 . . . . 0.0 110.972 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 62.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.049 0.452 . . . . 0.0 110.331 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.786 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -69.4 139.71 54.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.827 -179.662 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.476 HD22 HE21 ' A' ' 97' ' ' GLN . 5.4 mt -142.99 91.5 2.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 64.9 m -64.51 140.9 58.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.001 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -119.76 157.48 28.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.017 0.437 . . . . 0.0 111.166 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.581 HG22 HG12 ' A' ' 106' ' ' ILE . 49.0 t -128.92 113.77 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.167 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.566 ' NE2' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -115.94 144.27 44.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.549 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.93 -26.43 12.54 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.046 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.794 HG23 ' CE2' ' A' ' 67' ' ' TYR . 5.2 mm -64.18 147.94 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.606 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -87.45 132.22 34.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.523 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.89 -20.71 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.589 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -24.43 67.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.759 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.947 ' HB3' HD21 ' A' ' 72' ' ' LEU . 5.9 m-30 -52.34 -178.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.976 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.418 ' C ' HD22 ' A' ' 72' ' ' LEU . 76.8 m-20 -91.84 88.68 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.429 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -43.89 -34.41 1.63 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.348 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -79.72 -42.62 24.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -77.9 6.01 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.698 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.947 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -110.48 -65.09 1.19 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.702 0.286 . . . . 0.0 111.01 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 74' ' ' LYS . 3.3 p -79.33 -44.28 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.8 ttpt -64.63 -44.83 89.25 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.423 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -61.04 -42.8 99.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.684 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.63 ' CD2' HD22 ' A' ' 98' ' ' LEU . 18.6 t80 -49.12 -40.77 33.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.559 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 3.8 mtmt -71.51 -10.04 59.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.539 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -102.89 -19.03 14.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.681 0.277 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.48 -36.86 11.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.426 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.544 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 4.2 m-85 -118.56 -18.63 9.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.9 34.25 0.7 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.842 0.354 . . . . 0.0 110.999 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.64 178.16 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.801 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.86 128.04 54.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -125.43 144.88 15.42 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.859 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -125.52 160.83 28.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.32 . . . . 0.0 110.944 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.63 ' O ' HG13 ' A' ' 86' ' ' VAL . 9.5 p -116.54 71.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.469 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.4 pt -83.12 148.37 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.548 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -103.96 76.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.974 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -51.85 130.17 38.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.276 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.41 -15.15 22.45 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.4 2.066 . . . . 0.0 112.27 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 1.6 tm-20 -83.92 -24.62 30.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.566 ' CD2' ' NE2' ' A' ' 61' ' ' GLN . 1.4 m-85 -125.8 -52.16 1.57 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.363 . . . . 0.0 111.052 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.51 -111.29 0.63 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.245 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -105.63 92.73 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 61' ' ' GLN . 35.6 m -121.28 137.97 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.48 ' O ' HG22 ' A' ' 59' ' ' THR . 1.0 OUTLIER -74.65 157.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.579 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.476 HE21 HD22 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -131.39 97.9 4.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.756 0.312 . . . . 0.0 111.201 -179.357 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.052 HD11 HD13 ' A' ' 106' ' ' ILE . 9.7 mt -85.05 156.45 21.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.237 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.95 143.92 26.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.212 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.43 175.02 36.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.714 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 4.5 p-10 -76.2 79.39 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.687 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.474 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.2 mp0 -93.56 12.65 24.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.166 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -27.46 8.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 0.0 110.73 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.33 -22.3 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.913 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -83.71 -34.22 24.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 1.052 HD13 HD11 ' A' ' 98' ' ' LEU . 9.7 tp -67.13 -49.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.656 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.794 ' SG ' HD22 ' A' ' 121' ' ' LEU . 7.1 t -50.77 -33.27 22.62 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -43.53 64.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.934 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.818 ' CE2' HD13 ' A' ' 113' ' ' ILE . 35.7 t80 -62.26 -49.39 75.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.813 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.2 mp -56.82 -29.56 62.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 107' ' ' CYS . 59.7 t -94.84 -25.1 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.189 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.72 -40.73 47.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.956 HD11 HD22 ' A' ' 115' ' ' LEU . 6.6 pt -96.65 -1.32 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.535 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.78 33.04 66.52 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.901 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.956 HD22 HD11 ' A' ' 113' ' ' ILE . 6.7 tp -74.81 -72.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.944 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -89.85 -165.57 1.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.526 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.416 ' HB2' ' HG3' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -125.14 147.06 49.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.309 179.395 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.428 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 3.4 p30 -53.76 -29.44 39.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 111.046 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.47 -23.08 40.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 42' ' ' ASP . 60.8 mt-30 -90.3 -8.86 49.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.437 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.794 HD22 ' SG ' ' A' ' 107' ' ' CYS . 88.6 mt -52.76 93.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.042 0.449 . . . . 0.0 110.832 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.405 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 9.7 mmtt -114.7 84.06 2.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.976 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.499 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 13.3 p -96.41 123.71 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.304 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 14.4 m-70 -129.03 80.98 2.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.466 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.02 121.66 25.36 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.035 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.302 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.424 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.46 0.036 0 CA-C-O 121.054 0.454 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.401 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 21.9 m-30 -69.92 163.22 26.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.507 HD13 ' HA3' ' A' ' 62' ' ' GLY . 43.7 mm -111.56 103.01 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.33 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -79.83 115.7 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.361 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.744 HD12 ' CG2' ' A' ' 106' ' ' ILE . 26.0 mm -73.17 -94.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.335 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 86.46 126.76 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 112.262 178.82 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.618 HG23 HG22 ' A' ' 56' ' ' THR . 5.9 mt -108.39 158.59 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.067 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.458 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 8.3 pt20 -142.36 102.16 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.936 0.398 . . . . 0.0 110.611 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.546 ' HG3' HG23 ' A' ' 56' ' ' THR . 1.4 tt0 -104.02 123.07 46.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.453 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -87.58 117.33 26.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.256 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t30 64.2 21.19 12.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.58 39.5 60.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.972 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 31.0 mtp85 -152.33 -65.5 0.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.83 0.315 . . . . 0.0 111.512 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 14.2 mmtt -63.51 76.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 0.0 110.837 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.79 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -78.87 142.26 36.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.224 -179.649 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 56' ' ' THR . 1.5 mp -146.73 97.62 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.1 m -72.49 125.35 27.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -106.35 159.03 16.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.988 0.423 . . . . 0.0 111.259 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.548 HG22 HG12 ' A' ' 106' ' ' ILE . 92.6 t -125.63 122.27 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.874 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.653 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -120.93 139.66 52.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.01 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.507 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 111.23 -26.25 12.52 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.35 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.826 HG23 ' CE2' ' A' ' 67' ' ' TYR . 5.7 mm -66.42 146.11 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 111.058 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.583 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -88.54 133.31 34.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.566 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.64 -20.4 60.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.612 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.28 -22.72 67.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.936 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.3 m-30 -52.8 -177.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.477 ' C ' HD22 ' A' ' 72' ' ' LEU . 5.3 m-20 -89.73 89.53 7.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -43.95 -32.11 1.05 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.444 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 11.6 mtmm -78.12 -53.48 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -66.59 -3.01 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.946 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.936 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -102.46 -75.76 0.59 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.717 0.294 . . . . 0.0 111.451 -179.695 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.42 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 2.6 p -75.63 -42.88 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.129 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -62.5 -45.34 93.46 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.079 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.82 92.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.016 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.496 ' CD1' HD22 ' A' ' 98' ' ' LEU . 15.5 t80 -46.57 -48.43 19.58 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.041 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.1 mtpp -64.52 -15.04 60.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.665 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.07 -19.73 17.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.775 0.321 . . . . 0.0 111.322 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 2.4 tttp -97.94 -34.13 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.617 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.487 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 19.1 m-85 -115.84 -17.15 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 71.44 31.39 2.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.94 0.4 . . . . 0.0 110.621 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 57.3 m -105.59 178.67 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.0 117.53 34.45 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -114.97 133.47 11.03 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.861 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.9 p -121.43 169.7 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.658 ' O ' HG13 ' A' ' 86' ' ' VAL . 10.0 p -118.88 78.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.22 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pt -84.61 153.16 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.472 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -106.48 71.88 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.066 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.485 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -47.52 140.17 7.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.463 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.22 -22.57 9.64 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.54 2.16 . . . . 0.0 111.982 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -79.33 -23.85 43.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.987 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.462 ' CD2' HG11 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -117.45 -49.21 2.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 112.95 -18.61 21.63 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.705 -0.76 . . . . 0.0 113.012 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -176.49 110.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.784 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 61' ' ' GLN . 16.5 m -154.78 147.3 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.362 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 59' ' ' THR . 0.4 OUTLIER -77.66 155.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.546 ' CD ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -129.34 96.17 4.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.715 0.293 . . . . 0.0 111.497 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.022 HD11 HD13 ' A' ' 106' ' ' ILE . 7.1 mt -82.27 157.84 23.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.156 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.57 143.0 26.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.774 0.321 . . . . 0.0 111.022 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.62 172.99 39.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.354 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -77.31 79.12 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.42 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -89.1 11.31 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.777 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.478 ' NH1' HG22 ' A' ' 123' ' ' VAL . 4.5 ttt-85 -45.73 -30.72 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -100.16 -22.13 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.206 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -85.33 -36.27 20.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.354 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 1.022 HD13 HD11 ' A' ' 98' ' ' LEU . 8.9 tp -65.27 -49.41 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.253 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.541 ' O ' HG23 ' A' ' 111' ' ' VAL . 28.8 p -53.57 -32.36 50.59 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.408 0.623 . . . . 0.0 109.411 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -44.12 68.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.881 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.741 ' CE2' HD13 ' A' ' 113' ' ' ILE . 40.7 t80 -61.43 -47.96 83.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.747 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.4 mp -58.24 -28.91 65.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 107' ' ' CYS . 50.8 t -95.32 -24.99 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.29 -39.86 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.111 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.997 HD11 HD22 ' A' ' 115' ' ' LEU . 5.8 pt -96.67 -1.21 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.5 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.41 31.27 63.51 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.939 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.997 HD22 HD11 ' A' ' 113' ' ' ILE . 5.8 tp -76.02 -71.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -93.85 166.56 12.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.455 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 150.38 22.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.4 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.5 p-10 -55.31 -28.35 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.77 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.68 -21.04 45.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.36 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 122' ' ' LYS . 45.4 mt-30 -94.05 -3.66 50.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 107' ' ' CYS . 24.9 mt -58.25 78.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.925 0.393 . . . . 0.0 111.314 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.1 mmtt -101.5 73.07 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.938 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.478 HG22 ' NH1' ' A' ' 103' ' ' ARG . 6.4 p -89.51 128.32 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.817 -178.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 11.3 m-70 -137.82 139.85 40.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.95 129.45 8.93 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.165 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.545 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.967 0.413 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 120' ' ' GLN . 21.9 m-30 -73.26 161.22 30.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.017 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.45 HD12 HD13 ' A' ' 63' ' ' ILE . 30.2 mm -113.31 93.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.181 0.515 . . . . 0.0 110.274 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -66.33 116.28 7.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.425 -178.839 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.68 HD12 ' CG2' ' A' ' 106' ' ' ILE . 26.9 mm -79.51 -96.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.862 178.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.15 134.89 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.41 0.624 . . . . 0.0 112.371 178.577 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.853 HG23 HG22 ' A' ' 56' ' ' THR . 3.4 mt -116.77 154.44 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.876 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.9 pt20 -143.49 99.27 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 111.152 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -100.19 99.14 9.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.743 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -54.61 44.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.452 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -105.1 -151.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.747 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.43 34.29 4.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.302 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.6 OUTLIER 177.07 -27.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 67.73 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.079 0.466 . . . . 0.0 110.686 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.853 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -86.49 151.15 23.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.044 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 98' ' ' LEU . 6.1 mt -145.92 81.28 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.6 m -60.09 137.66 58.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -121.19 156.81 31.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.018 0.437 . . . . 0.0 111.389 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.497 ' CG2' HG12 ' A' ' 106' ' ' ILE . 84.6 t -124.48 120.97 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.048 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.741 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -119.78 146.31 45.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.64 179.763 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.93 -23.52 30.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.252 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.882 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -72.76 146.2 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.436 . . . . 0.0 111.08 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.556 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -80.55 139.07 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.977 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -65.63 -14.05 60.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -95.66 30.43 2.32 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.722 0.296 . . . . 0.0 111.35 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.977 ' CB ' HD21 ' A' ' 72' ' ' LEU . 3.5 m-30 -89.28 24.79 2.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.364 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 4.6 t70 82.21 -16.9 0.57 Allowed 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 63.74 -76.35 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.68 0.276 . . . . 0.0 111.447 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 74' ' ' LYS . 7.0 pttm -50.34 -47.0 56.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 111.352 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -59.17 -12.67 5.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.6 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.977 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -98.68 -67.89 0.83 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.64 0.257 . . . . 0.0 111.385 -179.494 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 74' ' ' LYS . 4.4 p -78.75 -45.79 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.212 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 73' ' ' VAL . 1.8 ttmt -61.96 -43.74 98.21 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -65.68 -42.56 91.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.235 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.758 ' CD2' HD22 ' A' ' 98' ' ' LEU . 11.7 t80 -45.95 -52.06 12.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.813 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 14.3 mtmt -61.72 -22.31 65.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -17.79 49.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.857 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 35.4 tttp -104.43 -45.32 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.576 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 0.5 OUTLIER -115.17 -16.77 11.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.771 -179.357 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 67.01 38.5 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.652 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.93 136.18 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.51 109.46 1.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -112.97 136.7 13.66 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.484 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.2 p -133.47 122.06 23.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.165 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.636 ' O ' HG13 ' A' ' 86' ' ' VAL . 8.0 p -77.32 95.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -96.39 150.73 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.298 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -100.83 71.22 1.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.094 0.473 . . . . 0.0 110.226 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.485 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -46.72 138.62 6.88 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.456 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -77.74 -20.47 11.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.53 2.154 . . . . 0.0 112.094 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -82.28 -23.97 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -116.64 -50.52 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.984 -179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 115.2 -19.48 15.0 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.711 -0.756 . . . . 0.0 113.239 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.36 107.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.815 0.307 . . . . 0.0 111.029 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 61' ' ' GLN . 12.6 m -152.54 145.4 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -77.09 157.6 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.162 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.422 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -134.08 97.69 3.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 0.0 111.279 -179.351 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.904 HD11 HD13 ' A' ' 106' ' ' ILE . 17.3 mt -85.18 157.85 20.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.188 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -95.15 135.1 37.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.19 165.79 34.95 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.24 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 5.3 p-10 -66.09 96.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.419 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -109.76 4.92 22.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.065 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.433 ' HB2' HG23 ' A' ' 123' ' ' VAL . 1.3 ptm180 -47.77 -27.62 2.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.785 0.326 . . . . 0.0 111.226 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -94.29 -26.41 16.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -86.83 -41.16 14.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.904 HD13 HD11 ' A' ' 98' ' ' LEU . 8.1 tp -60.16 -49.9 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.526 ' N ' HG23 ' A' ' 106' ' ' ILE . 82.6 m -57.67 -34.04 68.97 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -32.4 66.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.512 178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.874 ' CE2' HD13 ' A' ' 113' ' ' ILE . 79.0 t80 -74.42 -45.22 47.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.458 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.722 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.1 mp -57.89 -29.33 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.837 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 107' ' ' CYS . 55.6 t -92.65 -28.65 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.84 -43.19 65.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.946 HD11 HD22 ' A' ' 115' ' ' LEU . 9.4 pt -87.56 -24.9 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.329 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.2 30.07 8.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.789 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 113' ' ' ILE . 3.8 tp -79.1 -71.82 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.722 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -92.44 -164.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.709 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.42 153.71 40.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.66 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.581 ' HA ' HD12 ' A' ' 121' ' ' LEU . 12.5 t0 -55.62 -24.26 32.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.709 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.421 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 53.9 m-20 -77.28 -21.5 53.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 109.824 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 41.7 mt-30 -106.68 -11.03 15.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.132 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 118' ' ' ASP . 14.4 mt -51.02 93.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 3.1 mmtt -112.34 80.23 1.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.2 p -92.13 113.75 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 33.9 m-70 -114.31 -26.19 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.41 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 51.71 -108.73 0.66 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.428 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.971 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.437 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 3.2 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 120' ' ' GLN . 19.9 m-30 -56.41 162.72 2.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.255 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.443 HD13 ' HA3' ' A' ' 62' ' ' GLY . 44.2 mm -115.11 102.31 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.37 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.515 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -73.33 129.52 38.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.104 -179.001 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.799 HD12 HG21 ' A' ' 106' ' ' ILE . 23.5 mm -91.66 -98.01 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.947 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 2.8 ttt85 86.12 134.86 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.305 0.574 . . . . 0.0 112.423 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.582 ' CG2' HG22 ' A' ' 56' ' ' THR . 17.0 mt -114.9 155.58 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.425 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.423 ' HG3' ' HB2' ' A' ' 57' ' ' LEU . 2.6 pt20 -138.67 94.23 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.489 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.458 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 2.1 tt0 -93.59 116.88 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.245 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -95.55 125.14 39.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.405 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 66.39 21.82 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.22 44.02 96.2 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.719 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -167.74 -45.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.0 111.323 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -70.37 65.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 110.674 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.582 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -73.98 135.41 43.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.079 -179.744 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.901 HD23 ' O ' ' A' ' 98' ' ' LEU . 1.2 mt -142.63 110.33 5.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.61 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -89.83 118.61 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 110.97 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -101.1 161.68 13.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.951 0.405 . . . . 0.0 111.296 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.581 HG12 HG12 ' A' ' 63' ' ' ILE . 45.7 t -129.48 117.58 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -116.31 142.91 46.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.392 179.662 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.443 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 113.07 -29.84 7.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.0 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.809 HG23 ' CE2' ' A' ' 67' ' ' TYR . 8.5 mm -57.84 144.67 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.936 0.398 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.611 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -80.62 137.53 36.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.574 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -17.15 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.795 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.52 -26.45 64.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.947 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.809 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.2 m-30 -47.67 166.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -82.01 70.41 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.144 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.709 ' HD2' HG21 ' A' ' 86' ' ' VAL . 32.3 ttpt -35.75 -46.23 0.43 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.865 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 7.3 mmtp -55.92 -54.82 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -4.19 57.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.408 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.731 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.8 tt -71.87 -64.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.784 0.326 . . . . 0.0 110.714 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.523 HG21 ' C ' ' A' ' 84' ' ' GLY . 7.6 p -82.79 -35.94 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.557 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 4.8 tptt -52.85 -43.61 66.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.634 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.22 -31.72 73.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.768 ' CD2' HD22 ' A' ' 98' ' ' LEU . 8.9 t80 -59.78 -42.73 94.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -8.73 56.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.253 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -103.79 -19.56 14.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 111.056 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -97.0 -42.89 7.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.336 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.7 m-85 -111.74 -15.69 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.608 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 68.13 37.59 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.815 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.8 m -108.66 169.16 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -92.01 110.47 21.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.772 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.523 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -116.65 139.89 15.55 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.747 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.0 p -135.34 168.71 18.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.709 HG21 ' HD2' ' A' ' 69' ' ' LYS . 14.4 p -117.9 118.06 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.441 HD11 ' HG3' ' A' ' 97' ' ' GLN . 17.5 pt -124.56 148.22 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.304 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -102.84 74.25 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.6 t-80 -59.79 138.07 90.21 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.012 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.64 -20.03 9.58 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.6 2.2 . . . . 0.0 112.277 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -79.73 -23.71 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -124.22 -50.39 1.79 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.962 -179.677 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.84 106.65 2.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.685 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 55.17 83.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.768 0.318 . . . . 0.0 111.213 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 61' ' ' GLN . 30.5 m -131.77 131.51 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.657 ' O ' HG22 ' A' ' 59' ' ' THR . 0.8 OUTLIER -70.29 157.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.078 179.587 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.728 ' NE2' HD13 ' A' ' 57' ' ' LEU . 1.1 tt0 -132.79 105.88 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.367 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.086 HD11 HD13 ' A' ' 106' ' ' ILE . 9.1 mt -92.02 156.99 17.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.159 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.29 141.86 29.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.79 0.328 . . . . 0.0 110.802 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.03 175.44 48.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.101 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.451 ' HA ' HD13 ' A' ' 48' ' ' ILE . 4.6 p-10 -77.94 87.32 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.983 0.42 . . . . 0.0 110.756 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.473 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.6 mp0 -102.21 13.11 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.057 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.407 ' O ' HG21 ' A' ' 123' ' ' VAL . 9.8 ptt85 -52.01 -25.34 8.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.846 0.355 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.57 -20.62 13.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -88.04 -34.49 17.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 1.086 HD13 HD11 ' A' ' 98' ' ' LEU . 8.1 tp -64.82 -50.04 77.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.351 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.697 ' HB2' HD22 ' A' ' 121' ' ' LEU . 5.1 p -53.49 -33.28 53.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.44 0.638 . . . . 0.0 109.413 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -69.27 -47.27 65.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.986 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.867 ' CE2' HD13 ' A' ' 113' ' ' ILE . 61.8 t80 -59.18 -51.01 71.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.192 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.2 mp -55.56 -29.34 58.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 107' ' ' CYS . 60.0 t -94.23 -24.89 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.274 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.55 -42.08 30.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.115 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.916 HD11 HD22 ' A' ' 115' ' ' LEU . 12.2 pt -88.75 -22.01 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.328 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.27 35.57 6.24 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.726 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.916 HD22 HD11 ' A' ' 113' ' ' ILE . 4.6 tp -84.48 -71.3 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.805 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.702 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.42 -164.44 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 152.62 46.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 8.9 p-10 -59.47 -28.9 67.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.651 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.23 -28.28 34.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.365 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 47.7 mt-30 -83.59 -6.37 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.23 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.697 HD22 ' HB2' ' A' ' 107' ' ' CYS . 56.4 mt -52.88 92.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.038 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.408 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -115.55 83.76 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.5 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 14.9 p -97.08 125.44 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.303 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.515 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 14.0 m-70 -128.35 77.57 1.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.309 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.04 120.96 25.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.39 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.423 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 121.008 0.432 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.456 ' HB3' ' CG ' ' A' ' 122' ' ' LYS . 22.0 m-30 -60.81 161.09 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.137 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 61' ' ' GLN . 38.6 mm -111.11 92.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.137 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.551 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -67.2 113.95 5.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.363 -178.847 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.544 HD12 ' CG2' ' A' ' 106' ' ' ILE . 28.1 mm -77.64 -96.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.999 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 4.9 ttt180 86.15 135.16 0.05 OUTLIER 'General case' 0 C--N 1.344 0.329 0 CA-C-O 121.189 0.519 . . . . 0.0 112.162 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.803 HG23 HG22 ' A' ' 56' ' ' THR . 6.1 mt -113.75 154.36 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.011 179.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.0 OUTLIER -137.9 103.23 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 111.207 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.5 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -105.29 101.34 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.506 179.702 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.16 -80.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.614 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -92.6 44.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.868 0.366 . . . . 0.0 111.196 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.29 24.64 52.36 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.291 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 13.2 ptm180 -150.59 -46.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 1.7 tppt? -70.93 66.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.03 0.443 . . . . 0.0 110.483 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.803 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -73.2 139.58 46.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.047 -179.624 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 56' ' ' THR . 2.1 mp -142.45 97.78 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.739 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.557 HG23 HG13 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -72.48 117.97 14.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 -179.703 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -98.19 152.24 19.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.748 179.578 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 106' ' ' ILE . 67.5 t -121.13 117.91 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.958 0.409 . . . . 0.0 110.784 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -115.66 152.65 32.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.825 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.487 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 102.28 -30.25 10.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.939 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.82 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.7 mm -60.9 148.42 9.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.929 0.395 . . . . 0.0 111.022 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -88.25 133.25 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.429 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -58.28 -22.18 51.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.595 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.17 -27.39 67.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.82 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.3 m-30 -53.22 -177.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.687 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 71' ' ' LYS . 19.5 m-20 -95.77 80.52 3.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.976 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -38.45 -56.43 1.26 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.991 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -47.79 81.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.065 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . 2.1 ttpt -61.48 -38.54 87.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.517 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.729 ' HG ' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -56.93 -54.53 45.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.541 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.623 HG13 ' HA3' ' A' ' 84' ' ' GLY . 2.4 t -73.97 -44.75 50.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.237 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -55.89 -44.89 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.092 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.86 73.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.103 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.484 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 19.4 t80 -49.2 -55.96 10.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.031 0.443 . . . . 0.0 110.785 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 16.1 mtmt -59.64 -18.93 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.446 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.73 -19.2 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.672 0.272 . . . . 0.0 111.514 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HD3' ' CE2' ' A' ' 80' ' ' PHE . 3.9 tmtm? -95.4 -36.7 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.55 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 2.8 m-85 -119.39 -13.88 9.23 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.16 27.53 1.53 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 73.4 m -89.95 -170.6 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.717 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.424 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.5 OUTLIER -115.73 113.35 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.84 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.623 ' HA3' HG13 ' A' ' 73' ' ' VAL . . . -104.76 139.56 14.66 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.409 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -150.05 122.48 8.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.534 HG23 HD12 ' A' ' 96' ' ' ILE . 11.5 p -78.71 144.87 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.287 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.401 HG12 ' HB2' ' A' ' 97' ' ' GLN . 1.2 pp -156.62 158.25 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -105.76 77.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.183 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.7 t-80 -55.97 131.84 73.74 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.396 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -77.41 -13.85 16.51 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.555 2.17 . . . . 0.0 112.148 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.53 -23.58 29.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.0 m-85 -128.15 -54.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.88 107.66 3.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.774 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.18 88.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.437 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 61' ' ' GLN . 18.8 m -146.04 148.61 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.534 HD12 HG23 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -84.6 130.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.088 0.47 . . . . 0.0 110.679 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.526 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -101.44 106.67 17.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.039 -178.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 3.3 mp -89.78 165.61 14.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.589 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.424 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 5.9 tm0? -104.84 139.52 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.855 0.36 . . . . 0.0 111.01 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.19 -179.29 42.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.25 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.419 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 7.7 p-10 -79.35 88.78 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.4 . . . . 0.0 110.611 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.413 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -104.73 5.29 33.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.937 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.497 ' N ' HG21 ' A' ' 58' ' ' THR . 0.4 OUTLIER -47.83 -28.03 2.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 -179.86 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -93.48 -23.64 18.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -89.63 -34.43 16.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.69 0.281 . . . . 0.0 111.165 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 60' ' ' VAL . 9.4 tp -64.91 -51.44 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.995 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.699 ' HB2' HD22 ' A' ' 121' ' ' LEU . 4.6 p -54.97 -34.81 63.66 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -34.93 65.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.559 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.923 ' CE2' HD13 ' A' ' 113' ' ' ILE . 80.6 t80 -71.76 -47.67 52.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.648 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.9 mp -56.94 -29.51 63.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.752 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 107' ' ' CYS . 51.8 t -92.08 -28.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.43 -44.61 57.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.923 HD13 ' CE2' ' A' ' 109' ' ' PHE . 10.3 pt -86.01 -24.32 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.459 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.98 32.46 7.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.659 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.729 HD21 ' HG ' ' A' ' 72' ' ' LEU . 7.2 tp -79.82 -67.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.761 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -94.3 -165.38 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.52 145.16 51.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.506 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.3 p-10 -51.98 -27.58 13.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.026 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -80.5 -26.3 38.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.519 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.437 ' HB3' HG12 ' A' ' 44' ' ' ILE . 16.8 mt-30 -89.21 -4.29 58.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.699 HD22 ' HB2' ' A' ' 107' ' ' CYS . 42.5 mt -53.87 90.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.123 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 2.8 mmtt -112.02 79.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.678 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.9 p -92.5 117.72 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.332 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.551 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 16.8 m-70 -123.81 81.34 1.9 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.441 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.02 121.28 25.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.055 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.325 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 121.151 0.5 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.1 m-85 -66.04 176.87 1.52 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.041 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.7 mm -117.36 101.5 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.14 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.502 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -68.9 128.99 38.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.733 -179.205 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.948 HD13 HG22 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -124.49 106.2 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.321 179.004 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.46 165.68 11.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.459 -178.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.822 HD11 ' HA ' ' A' ' 101' ' ' ASP . 2.1 tt -136.25 141.9 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.721 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 56' ' ' THR . 0.7 OUTLIER -129.12 91.42 3.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.748 0.309 . . . . 0.0 111.449 -179.578 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HB2' HG23 ' A' ' 56' ' ' THR . 14.1 tt0 -94.02 98.91 11.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.1 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.98 138.52 31.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.609 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 61.79 22.42 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.995 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.17 42.06 99.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.491 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 12.4 ptm180 -175.01 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.715 0.293 . . . . 0.0 111.269 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -68.53 70.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.685 HG22 HG12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -86.72 143.55 27.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.387 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.902 HD23 ' O ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -147.44 88.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.353 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.0 m -63.44 126.27 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.669 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -112.5 161.22 16.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.839 179.388 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.948 HG22 HD13 ' A' ' 46' ' ' ILE . 44.9 t -131.06 126.06 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.223 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.609 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -123.24 143.59 49.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.482 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.71 -27.22 12.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.119 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.869 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.9 mm -61.65 145.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.976 0.417 . . . . 0.0 110.966 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.735 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.87 144.71 33.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.093 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.41 -9.2 57.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.244 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -94.59 25.09 4.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.275 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.869 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.6 m-30 -89.25 25.57 1.86 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.289 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 3.1 t0 80.46 -15.01 0.78 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.763 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 62.36 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 111.124 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -53.26 -67.32 0.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.191 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -48.0 -27.16 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.377 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.611 ' CD2' HD21 ' A' ' 115' ' ' LEU . 1.5 tt -62.09 -68.93 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.578 HG21 ' C ' ' A' ' 84' ' ' GLY . 10.7 p -82.38 -40.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.62 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' N ' HG13 ' A' ' 73' ' ' VAL . 22.1 tttt -47.63 -42.95 25.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.443 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.01 -29.43 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CD2' HD22 ' A' ' 98' ' ' LEU . 7.5 t80 -60.45 -46.66 89.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.9 mtpt -70.1 -9.76 56.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.307 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.55 -21.39 13.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.704 0.288 . . . . 0.0 110.965 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 tmtm? -95.07 -37.61 11.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.403 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.526 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 7.7 m-85 -114.92 -18.08 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.551 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.26 32.37 1.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.972 0.415 . . . . 0.0 110.771 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.9 m -105.04 -177.49 3.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.638 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.73 116.14 31.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 109.985 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.578 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -123.66 131.1 7.93 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.361 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.449 ' O ' HD13 ' A' ' 96' ' ' ILE . 23.2 p -125.27 168.34 13.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.906 0.384 . . . . 0.0 111.248 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.6 p -118.01 107.96 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.781 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.1 pt -115.16 151.72 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.429 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -101.9 71.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.561 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -55.68 136.22 71.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.134 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.97 -18.42 13.05 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.531 2.154 . . . . 0.0 112.165 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.469 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -81.16 -23.56 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.578 ' CD2' ' NE2' ' A' ' 61' ' ' GLN . 1.2 m-85 -123.46 -51.23 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.076 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.67 99.6 2.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 62.09 88.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 61' ' ' GLN . 18.6 m -140.57 137.36 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.743 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mm -73.13 155.83 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.131 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.784 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -132.48 103.56 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.799 0.333 . . . . 0.0 111.509 -179.296 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.964 HD11 HD13 ' A' ' 106' ' ' ILE . 3.2 mt -90.56 156.36 18.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.91 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.98 147.79 24.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.788 0.327 . . . . 0.0 111.014 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.47 169.42 1.86 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.172 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.822 ' HA ' HD11 ' A' ' 48' ' ' ILE . 5.4 p-10 -72.64 97.46 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.745 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.46 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.4 OUTLIER -104.3 14.3 30.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.932 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -44.91 -32.87 1.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 0.0 111.426 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -93.81 -22.71 18.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.409 ' HB2' ' HG3' ' A' ' 102' ' ' GLN . 27.3 m-80 -88.7 -38.22 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.044 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.964 HD13 HD11 ' A' ' 98' ' ' LEU . 6.8 tp -67.94 -50.51 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.621 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.556 ' O ' HG23 ' A' ' 111' ' ' VAL . 8.4 m -59.53 -32.73 70.58 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -33.06 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.422 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.838 ' CE2' HD13 ' A' ' 113' ' ' ILE . 70.6 t80 -72.62 -45.1 60.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.323 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.64 HD23 ' CB ' ' A' ' 116' ' ' ALA . 6.1 mp -58.8 -29.46 66.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.701 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 107' ' ' CYS . 48.6 t -91.58 -30.63 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.57 -44.63 70.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.826 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.969 HD11 HD22 ' A' ' 115' ' ' LEU . 6.4 pt -89.14 -17.0 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.451 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.89 32.34 21.38 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.581 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.969 HD22 HD11 ' A' ' 113' ' ' ILE . 4.6 tp -76.74 -72.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 111.067 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.64 ' CB ' HD23 ' A' ' 110' ' ' LEU . . . -90.31 -168.49 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.473 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 149.24 52.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.637 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.523 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.9 t70 -58.23 -28.21 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.333 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 1.9 m-20 -76.65 -19.55 57.65 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.418 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 67.6 mt-30 -103.35 -12.67 17.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.061 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.546 HD22 ' SG ' ' A' ' 107' ' ' CYS . 17.8 mt -50.63 92.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.004 0.43 . . . . 0.0 111.146 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -114.83 84.05 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 123' ' ' VAL . 13.8 p -89.9 124.05 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 111.755 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.502 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 42.4 m-70 -131.83 84.48 2.17 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.817 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 126' ' ' PHE . . . -74.7 100.55 1.21 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.701 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.615 ' N ' HG22 ' A' ' 48' ' ' ILE . 1.5 p90 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.146 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.811 0.339 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -121.99 164.85 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.51 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.821 HD13 ' HA3' ' A' ' 62' ' ' GLY . 32.9 mm -128.07 77.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.45 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.575 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -60.15 154.97 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.647 -178.494 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.596 HG13 HG22 ' A' ' 60' ' ' VAL . 1.2 mp -148.23 101.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.824 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 124' ' ' HIS . 2.1 mtt180 -121.41 138.23 54.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.156 0.503 . . . . 0.0 112.026 -178.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.747 ' CG2' HG22 ' A' ' 56' ' ' THR . 89.7 mt -87.42 157.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.723 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' HG22 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -138.84 82.95 1.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.981 179.164 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.607 ' HG3' HG23 ' A' ' 56' ' ' THR . 2.6 tt0 -87.65 99.15 11.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.476 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -76.85 119.57 20.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.198 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 71.36 21.47 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.651 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.97 27.57 72.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.885 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' THR . 9.0 mtt180 -142.7 -63.32 0.42 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.701 0.251 . . . . 0.0 111.373 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -61.83 77.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.747 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -79.54 129.7 34.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.212 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.895 HD23 ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -140.57 107.33 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -76.43 133.03 39.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.288 -179.718 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.541 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -121.79 130.84 53.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.867 0.365 . . . . 0.0 111.028 179.746 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.615 HG11 HG12 ' A' ' 63' ' ' ILE . 54.6 t -97.34 128.29 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -113.43 81.66 1.55 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.302 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.821 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 167.86 -33.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.742 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.907 HG23 ' CD2' ' A' ' 67' ' ' TYR . 34.0 mm -54.18 140.75 10.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.072 0.463 . . . . 0.0 111.319 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.643 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -86.59 139.42 30.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.412 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -61.0 -21.02 63.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.07 -29.2 70.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.821 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.907 ' CD2' HG23 ' A' ' 63' ' ' ILE . 3.8 m-30 -51.56 142.1 14.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.35 101.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.31 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -41.99 -43.41 3.15 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.52 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 3.6 ptpp? -69.73 -41.0 75.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.75 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -4.22 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.86 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.886 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -104.75 -71.18 0.75 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.422 -179.708 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.415 HG13 ' CD1' ' A' ' 96' ' ' ILE . 31.0 m -77.81 -41.97 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.51 0.195 . . . . 0.0 111.403 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -63.62 -47.06 82.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -61.71 -45.26 94.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.831 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.754 ' CD2' HD22 ' A' ' 98' ' ' LEU . 5.1 t80 -45.3 -56.13 5.21 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.825 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 4.3 mtpm? -55.66 -22.76 24.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.192 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.01 -18.19 54.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.768 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -108.61 -42.75 4.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.49 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.495 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -115.43 -16.94 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.767 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 65.91 33.48 7.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.875 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.422 ' SG ' ' NE2' ' A' ' 102' ' ' GLN . 64.6 m -100.64 144.31 29.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.777 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.7 98.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.794 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.77 139.49 14.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 97' ' ' GLN . 80.3 p -139.59 148.4 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.635 ' O ' HG13 ' A' ' 86' ' ' VAL . 7.1 p -109.5 95.0 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.745 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 pt -108.78 150.99 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.926 0.394 . . . . 0.0 111.668 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -98.74 75.04 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.925 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -52.06 139.02 34.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.545 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.21 -24.78 5.32 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.63 2.22 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 24.1 mt-10 -83.67 -26.84 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.442 ' CG ' ' OE1' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -112.08 -51.94 2.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.906 0.384 . . . . 0.0 110.797 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.65 96.97 1.86 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 65.55 92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 61' ' ' GLN . 31.2 m -142.91 149.02 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.6 OUTLIER -92.42 117.67 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.322 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.613 ' HG2' HD22 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -96.89 110.87 23.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.772 -179.09 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.895 ' O ' HD23 ' A' ' 57' ' ' LEU . 8.6 mt -104.93 156.85 17.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.928 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.69 142.09 27.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 111.652 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.65 177.23 50.13 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.624 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -77.97 75.63 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.356 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.445 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.2 mp0 -92.04 6.33 46.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.742 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.44 ' HG2' HD11 ' A' ' 48' ' ' ILE . 4.1 ptt180 -44.57 -31.21 1.06 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.856 0.36 . . . . 0.0 111.06 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.45 -24.22 15.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.039 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -81.74 -41.41 21.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.541 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.834 HD13 HD11 ' A' ' 98' ' ' LEU . 6.0 tp -67.39 -48.31 78.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.665 ' HB2' HD22 ' A' ' 121' ' ' LEU . 29.2 p -53.68 -33.47 55.49 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -67.23 -53.32 31.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.723 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.948 ' CE2' HD13 ' A' ' 113' ' ' ILE . 63.6 t80 -55.81 -47.66 76.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.866 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.714 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.7 mp -55.0 -30.56 59.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.864 HG21 HD11 ' A' ' 121' ' ' LEU . 64.8 t -94.56 -25.66 4.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.073 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.53 -40.68 49.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.019 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.979 HD11 HD22 ' A' ' 115' ' ' LEU . 12.9 pt -90.12 -23.91 5.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.765 0.316 . . . . 0.0 111.3 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.76 29.85 7.51 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.858 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.979 HD22 HD11 ' A' ' 113' ' ' ILE . 2.5 tp -78.68 -73.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 0.0 110.746 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.776 ' HB2' HG21 ' A' ' 44' ' ' ILE . . . -84.17 -167.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.433 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.48 151.47 51.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.531 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.741 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.1 p-10 -61.42 -28.92 69.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.418 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -80.27 -15.85 56.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.875 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -111.62 0.66 16.45 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.196 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.864 HD11 HG21 ' A' ' 111' ' ' VAL . 13.9 mt -64.65 76.8 0.04 OUTLIER 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.808 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -93.39 79.26 4.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.752 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.4 p -87.69 121.02 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.616 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 47' ' ' ARG . 71.9 m-70 -130.63 137.83 49.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -104.47 126.84 8.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.084 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.185 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 121.061 0.458 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -60.63 165.17 4.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.019 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.508 HD12 HD13 ' A' ' 63' ' ' ILE . 50.8 mm -116.51 103.51 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.102 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.654 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -63.92 139.93 58.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.621 -178.634 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.654 HD12 ' C ' ' A' ' 45' ' ' HIS . 1.6 mp -136.8 104.05 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.811 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -125.45 144.96 50.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.351 0.596 . . . . 0.0 112.433 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.869 HG23 HG22 ' A' ' 56' ' ' THR . 8.0 mt -97.43 149.77 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.371 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -140.15 88.77 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.093 0.473 . . . . 0.0 110.962 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.1 tt0 -92.4 95.47 9.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.543 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -55.57 -36.03 66.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -127.82 -152.22 0.51 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.025 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.98 36.23 3.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.457 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' THR . 11.5 ptp180 173.19 -27.27 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.432 0.158 . . . . 0.0 111.418 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -67.67 65.74 0.08 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.947 0.403 . . . . 0.0 110.786 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.869 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -84.94 151.74 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.157 -179.603 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.461 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 5.1 mt -151.0 72.66 1.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.985 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 90.9 m -51.67 141.7 16.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.344 . . . . 0.0 111.361 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.436 ' CG2' ' HG3' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -123.37 157.29 33.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 179.82 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.57 HG12 HG12 ' A' ' 63' ' ' ILE . 53.8 t -130.41 121.3 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.051 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.2 139.94 51.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.464 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.41 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 115.07 -30.24 6.91 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.135 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.798 HG23 ' CE2' ' A' ' 67' ' ' TYR . 9.2 mm -56.44 145.18 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.02 0.438 . . . . 0.0 111.085 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.623 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -82.48 133.33 35.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.478 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.06 -18.61 61.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.678 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.85 -25.57 66.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.711 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.798 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.7 m-30 -49.4 167.59 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.75 81.86 8.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.275 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.76 ' HD3' HG21 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -36.97 -42.96 0.43 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.523 -179.58 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -63.07 -68.73 0.31 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.574 179.557 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -58.94 -18.85 37.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.431 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.706 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.2 tt -65.55 -68.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.423 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.894 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.11 -40.52 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.667 -179.585 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -50.49 -41.81 53.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.957 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.8 74.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.66 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.485 ' CD2' HD22 ' A' ' 98' ' ' LEU . 11.7 t80 -59.88 -47.61 85.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.579 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -64.82 -13.79 56.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.362 179.678 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -100.73 -20.03 15.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.677 0.275 . . . . 0.0 111.301 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 2.3 tttm -96.67 -34.35 11.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.615 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.541 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 6.6 m-85 -119.63 -17.58 8.6 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.24 32.37 1.0 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.956 0.407 . . . . 0.0 110.781 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 23.0 m -108.54 -175.01 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.62 123.52 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 0.0 110.539 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -121.24 119.17 4.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.404 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.579 ' O ' HD13 ' A' ' 96' ' ' ILE . 70.2 p -117.7 162.28 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 111.112 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.76 HG21 ' HD3' ' A' ' 69' ' ' LYS . 8.5 p -113.36 69.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 89' ' ' HIS . 1.2 pp -76.21 153.68 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.544 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -106.96 71.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.291 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.2 t-80 -52.71 130.86 46.79 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.219 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -15.61 21.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.42 2.08 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.92 -24.6 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -119.32 -53.76 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.93 98.96 2.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.653 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 61.84 86.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.0 111.189 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.78 146.17 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.894 HD12 ' CG1' ' A' ' 73' ' ' VAL . 1.2 mm -84.87 121.84 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.893 0.378 . . . . 0.0 110.231 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.436 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -99.72 112.29 24.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.716 -178.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.817 HD11 HD13 ' A' ' 106' ' ' ILE . 2.8 mt -99.95 157.77 16.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.046 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -94.84 133.16 38.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.87 165.01 40.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.411 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.457 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 30.5 p-10 -65.43 80.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.783 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.49 ' O ' HG22 ' A' ' 106' ' ' ILE . 6.8 mm100 -87.05 -0.05 56.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.732 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -30.25 0.38 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.762 0.315 . . . . 0.0 111.519 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.68 -23.76 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.144 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.66 -41.94 13.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.385 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.817 HD13 HD11 ' A' ' 98' ' ' LEU . 7.9 tp -65.78 -51.06 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.254 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.733 ' HB2' HD22 ' A' ' 121' ' ' LEU . 26.5 p -55.94 -36.73 68.07 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -32.94 67.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.55 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.849 ' CE2' HD13 ' A' ' 113' ' ' ILE . 78.7 t80 -73.14 -46.4 51.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.448 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.1 mp -56.63 -30.21 63.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.76 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 107' ' ' CYS . 57.5 t -91.6 -30.47 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.27 -42.11 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.849 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.8 pt -88.95 -30.03 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.342 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.17 31.81 5.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.656 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.706 HD21 ' HG ' ' A' ' 72' ' ' LEU . 5.7 tp -77.42 -70.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.732 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -92.13 -171.43 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.425 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.02 149.59 33.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.447 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.432 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.0 m-20 -58.41 -30.62 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 110.598 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.1 -27.52 39.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.271 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB3' HG12 ' A' ' 44' ' ' ILE . 18.3 mt-30 -84.6 -3.84 58.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.256 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.733 HD22 ' HB2' ' A' ' 107' ' ' CYS . 51.7 mt -57.68 88.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.816 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -101.67 69.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.044 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 123' ' ' VAL . 9.5 p -78.35 114.46 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.426 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 90.7 m-70 -111.84 -34.78 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.363 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.01 -113.61 4.9 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.119 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.946 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.858 0.361 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.427 ' O ' HD12 ' A' ' 44' ' ' ILE . 19.6 m-30 -65.11 161.75 18.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.192 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.858 HG21 HD21 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -112.52 104.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.02 179.503 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.724 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -68.42 147.6 51.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.949 -179.206 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.724 HD12 ' C ' ' A' ' 45' ' ' HIS . 1.6 mp -146.74 106.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.027 179.016 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -138.56 125.57 21.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.953 HG23 HG22 ' A' ' 56' ' ' THR . 34.7 mt -63.51 158.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.632 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.489 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.6 pt20 -152.08 76.61 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.151 0.5 . . . . 0.0 110.403 178.314 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -76.24 98.12 4.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.791 -179.786 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -56.06 -39.08 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -125.15 -152.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.082 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.55 38.6 3.19 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.548 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' THR . 2.4 ptp180 170.87 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.55 0.175 . . . . 0.0 111.412 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 1.8 mmpt? -68.29 65.15 0.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.981 0.42 . . . . 0.0 110.76 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.953 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -80.6 132.01 35.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.052 -179.594 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.54 HD22 HE21 ' A' ' 97' ' ' GLN . 10.3 mt -130.08 75.62 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.394 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 87.6 m -58.48 113.65 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.666 0.27 . . . . 0.0 110.849 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -96.9 170.66 9.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.955 0.407 . . . . 0.0 111.467 -179.803 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.525 HG22 HG13 ' A' ' 46' ' ' ILE . 70.5 t -137.01 113.93 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.059 179.633 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.443 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -101.19 74.75 1.59 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.721 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.25 -54.85 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.62 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.838 HG21 HD11 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -54.7 149.29 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.981 0.419 . . . . 0.0 110.772 179.904 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.36 162.8 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.381 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.9 -11.39 60.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.011 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -95.14 27.57 3.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.811 0.338 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.773 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.8 m-30 -95.34 37.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.669 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 2.7 t0 81.47 -16.39 0.64 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.666 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 tttt 64.83 -74.06 0.05 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.699 0.285 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -60.6 -68.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.704 179.785 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -48.66 -24.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.838 HD11 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -68.88 -77.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.424 -179.802 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.534 HG21 ' N ' ' A' ' 85' ' ' THR . 4.8 p -86.31 -40.52 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.066 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -52.25 -42.25 63.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 111.088 -179.856 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.57 71.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.824 ' CE2' HD22 ' A' ' 98' ' ' LEU . 6.8 t80 -53.94 -46.51 71.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.463 179.376 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 2.4 mttt -66.35 -15.01 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.128 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -97.6 -20.75 17.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.248 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 3.5 tttm -96.15 -48.63 5.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.581 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.56 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 4.1 m-85 -103.34 -20.34 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.317 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.94 34.19 0.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.018 0.437 . . . . 0.0 110.713 -179.315 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 30.6 m -116.52 166.06 12.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.653 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -85.74 141.81 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.681 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.513 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -150.99 152.49 24.29 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.748 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.534 ' N ' HG21 ' A' ' 73' ' ' VAL . 30.2 p -147.24 162.61 38.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 86' ' ' VAL . 9.2 p -115.4 69.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pp -79.14 157.49 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.602 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -109.54 69.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.381 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.1 t-80 -49.51 128.7 18.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.273 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.59 -16.76 23.89 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.47 2.113 . . . . 0.0 112.165 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.87 -26.56 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.438 ' HD2' HG21 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -113.71 -52.93 2.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.39 95.2 2.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.781 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 58.75 92.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 0.0 111.199 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 61' ' ' GLN . 29.5 m -142.14 141.38 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.3 mm -79.68 127.65 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.598 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.54 HE21 HD22 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -104.84 108.87 20.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.445 -179.153 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.01 HD11 HD13 ' A' ' 106' ' ' ILE . 15.0 mt -97.59 156.89 16.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.116 179.098 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -100.75 124.63 46.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.23 167.76 32.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.357 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.47 ' HB2' HD11 ' A' ' 48' ' ' ILE . 8.3 p-10 -67.99 73.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.546 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.658 HE21 ' HE2' ' A' ' 76' ' ' PHE . 7.9 mm100 -86.51 2.9 46.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.735 -179.404 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -43.4 -29.69 0.46 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.703 0.287 . . . . 0.0 111.481 -179.774 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -102.65 -21.61 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.193 179.81 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -86.65 -38.06 17.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.477 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 1.01 HD13 HD11 ' A' ' 98' ' ' LEU . 5.5 tp -69.05 -49.17 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.283 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.615 ' HB2' HD22 ' A' ' 121' ' ' LEU . 25.9 p -53.03 -34.57 57.02 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 178.514 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 112' ' ' GLU . 5.7 mm-40 -65.59 -45.34 83.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.88 178.664 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.78 ' CE1' HG21 ' A' ' 113' ' ' ILE . 35.7 t80 -55.9 -54.0 50.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.191 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.858 HD21 HG21 ' A' ' 44' ' ' ILE . 6.7 mp -54.28 -29.25 46.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.507 HG23 HD21 ' A' ' 121' ' ' LEU . 62.0 t -92.97 -23.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.257 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 108' ' ' GLN . 4.8 mm-40 -85.24 -46.9 10.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 1.02 HD11 HD22 ' A' ' 115' ' ' LEU . 2.4 pt -90.65 16.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.878 -179.21 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 50.88 49.28 42.39 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.562 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.02 HD22 HD11 ' A' ' 113' ' ' ILE . 8.0 tp -94.93 -68.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.913 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.735 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -99.56 178.66 4.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.751 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.61 155.49 18.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.502 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.438 ' HA ' HD12 ' A' ' 121' ' ' LEU . 4.8 m-20 -61.71 -28.15 69.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.28 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.23 -21.29 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.24 179.036 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.437 ' HB3' HD13 ' A' ' 44' ' ' ILE . 13.1 mt-30 -91.25 -4.44 55.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.108 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.615 HD22 ' HB2' ' A' ' 107' ' ' CYS . 31.2 mt -62.34 79.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.031 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 120' ' ' GLN . 9.7 mmtt -94.36 73.48 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.32 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 123' ' ' VAL . 12.0 p -89.8 120.37 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.709 -179.358 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.411 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 34.0 m-70 -111.71 -34.33 6.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.465 179.394 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 46.03 61.4 3.97 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.305 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.094 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.897 0.379 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.489 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.1 m-30 -67.12 172.71 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 61' ' ' GLN . 24.0 mm -109.9 98.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.066 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.541 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -72.68 119.74 17.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.284 -178.79 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.691 HD12 ' CG2' ' A' ' 106' ' ' ILE . 40.5 mm -80.55 -96.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.649 178.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 5.1 tpp180 89.39 131.75 0.03 OUTLIER 'General case' 0 C--N 1.346 0.439 0 CA-C-O 121.149 0.499 . . . . 0.0 112.009 179.118 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.909 HD11 ' HA ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -111.26 171.75 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.392 179.545 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.605 ' N ' HG23 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -162.13 99.77 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 178.54 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 4.1 tt0 -106.64 116.1 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.501 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.81 142.99 32.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.389 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.6 t30 61.86 20.47 11.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.887 -179.585 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.57 43.21 99.59 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.81 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -173.73 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 111.57 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 2.4 tptm -70.09 65.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 111.284 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -75.54 143.05 42.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 179.804 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.722 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.9 mt -149.76 101.73 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.706 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.3 m -82.28 116.08 21.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.587 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -91.53 172.18 8.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 179.634 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.505 HG22 HG12 ' A' ' 106' ' ' ILE . 86.1 t -140.14 119.48 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.639 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -116.56 153.29 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.723 179.761 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.53 -25.7 26.87 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.215 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.863 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.0 mm -72.88 146.43 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 111.152 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.635 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -83.53 140.31 32.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -66.52 -12.78 59.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -96.08 30.25 2.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.473 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.863 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.2 m-30 -87.23 34.58 0.69 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.646 0.26 . . . . 0.0 111.465 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' LYS . 11.8 t0 77.91 -11.79 1.16 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.08 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.746 0.308 . . . . 0.0 111.223 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 12.8 mmtp -52.07 -66.03 0.46 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.121 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 1.3 tppt? -46.49 -25.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.577 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HG ' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -68.68 -71.21 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.549 -179.794 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.844 ' CG1' HD12 ' A' ' 96' ' ' ILE . 2.6 m -90.94 -41.29 13.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.598 -179.466 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 19.6 tptt -50.14 -40.69 47.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 110.564 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -73.26 -31.68 64.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.671 179.712 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.785 ' CD2' HD22 ' A' ' 98' ' ' LEU . 15.4 t80 -57.02 -41.35 78.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.619 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 13.4 mtmt -69.8 -14.09 62.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.019 179.587 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -92.03 -19.24 22.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.804 179.757 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -99.09 -45.54 5.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.497 -179.604 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.418 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -119.72 -10.53 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.219 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 64.18 45.23 4.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.008 0.432 . . . . 0.0 110.817 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -113.28 138.14 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.78 104.31 0.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.01 112.55 4.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.223 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.4 p -111.84 150.09 30.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.735 ' HA ' HD13 ' A' ' 96' ' ' ILE . 10.1 p -103.67 65.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.9 pt -68.69 157.24 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 111.486 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -112.61 73.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.21 179.364 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.428 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.5 t-80 -55.73 142.26 63.37 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.404 -179.369 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 88.7 Cg_endo -81.49 -24.45 4.35 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.689 2.259 . . . . 0.0 112.577 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 11.5 mt-10 -82.95 -21.19 34.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.073 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.4 ' HD2' HG21 ' A' ' 95' ' ' VAL . 1.5 m-85 -119.0 -50.41 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.0 97.16 1.69 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.636 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.79 87.72 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.62 HG11 ' HG3' ' A' ' 61' ' ' GLN . 17.1 m -141.78 137.94 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.728 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.844 HD12 ' CG1' ' A' ' 73' ' ' VAL . 6.9 mm -71.53 149.87 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.48 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.722 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -129.76 86.86 2.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.827 0.346 . . . . 0.0 111.235 -179.419 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.042 HD11 HD13 ' A' ' 106' ' ' ILE . 7.1 mt -70.55 157.53 37.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.414 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.68 144.89 25.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.664 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.54 176.12 38.83 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.883 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.909 ' HA ' HD11 ' A' ' 48' ' ' ILE . 25.7 p-10 -79.64 92.82 5.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.049 0.452 . . . . 0.0 110.761 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.4 mp0 -105.21 10.23 33.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -27.2 2.14 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.76 0.314 . . . . 0.0 111.197 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.58 -25.13 14.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.165 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -84.0 -39.82 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 1.042 HD13 HD11 ' A' ' 98' ' ' LEU . 7.7 tp -62.17 -51.4 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.108 -179.703 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.544 ' N ' HG23 ' A' ' 106' ' ' ILE . 1.3 m -57.68 -33.31 68.22 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.302 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.08 -32.42 65.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.576 178.653 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.922 ' CE2' HD13 ' A' ' 113' ' ' ILE . 79.5 t80 -74.2 -47.76 33.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.602 179.534 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.3 mp -56.63 -29.79 62.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.799 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 107' ' ' CYS . 61.7 t -91.08 -29.36 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.58 -46.26 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.792 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.922 HD13 ' CE2' ' A' ' 109' ' ' PHE . 10.1 pt -85.2 -19.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.394 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.44 31.52 16.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.628 -179.104 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.907 HD22 HD11 ' A' ' 113' ' ' ILE . 5.8 tp -76.41 -69.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.928 -179.72 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.574 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -92.91 -169.52 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 144.7 43.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.474 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 2.9 p30 -53.02 -30.49 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.937 -179.808 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -79.73 -28.44 40.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.332 179.52 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.489 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 76.7 mt-30 -80.41 -11.09 59.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.348 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 65.2 mt -50.62 89.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 111.213 -179.486 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -110.74 81.95 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.411 179.786 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.9 p -91.7 122.63 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.797 -179.351 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.541 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 19.6 m-70 -132.4 37.74 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.137 179.343 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.578 ' HA2' ' HB ' ' A' ' 48' ' ' ILE . . . -53.74 91.51 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.898 -0.667 . . . . 0.0 113.059 -179.477 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.443 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.035 179.609 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.125 0.488 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -60.73 167.09 2.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.957 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.539 HD12 HD13 ' A' ' 63' ' ' ILE . 35.2 mm -117.05 100.13 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.388 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.508 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -74.73 132.05 41.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.109 -178.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.702 HD12 ' CG2' ' A' ' 106' ' ' ILE . 27.9 mm -93.41 -99.72 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.15 178.746 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 91.28 130.14 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.336 0.588 . . . . 0.0 112.22 178.703 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.899 HD11 ' HA ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -105.79 171.94 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.865 179.097 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.61 ' N ' HG23 ' A' ' 48' ' ' ILE . 2.4 pt20 -161.32 99.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.137 0.494 . . . . 0.0 111.098 178.668 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.536 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 3.8 tt0 -107.35 94.83 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.685 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -53.64 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -81.83 -150.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.637 179.08 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.78 35.29 4.13 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.302 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' THR . 8.2 ptm180 178.86 -27.48 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.42 67.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.805 0.336 . . . . 0.0 111.288 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -85.4 163.1 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.933 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.833 HD23 ' O ' ' A' ' 98' ' ' LEU . 1.7 mt -162.01 93.92 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.5 m -72.53 117.77 14.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.069 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -99.48 162.92 12.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.962 0.41 . . . . 0.0 111.203 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 106' ' ' ILE . 54.7 t -133.04 114.93 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.061 179.69 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.675 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -114.92 140.27 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.449 179.744 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.44 -29.89 7.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.898 -179.639 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.847 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.6 mm -64.89 146.96 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 110.621 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.803 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -67.58 162.04 24.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.253 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.59 20.23 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.81 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -142.31 37.72 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.814 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.847 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.5 m-30 -86.92 35.75 0.7 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t70 76.24 -5.68 2.14 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 tttp 58.43 -80.52 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.724 0.297 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ASP . 24.9 mttm -50.15 -60.94 2.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.957 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -47.67 -24.81 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.434 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.739 HD13 HG13 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -70.08 -69.73 0.33 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.525 -179.771 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.917 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -86.13 -41.52 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.404 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 18.2 tttp -48.03 -40.96 24.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.024 0.44 . . . . 0.0 110.65 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -33.86 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.622 179.476 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.564 ' CZ ' HD23 ' A' ' 98' ' ' LEU . 9.4 t80 -60.86 -56.51 20.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 34.0 mtmt -57.03 -20.51 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.299 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -93.97 -21.85 18.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.221 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.419 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 1.4 tttm -96.42 -31.61 12.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.525 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 17.7 m-85 -120.27 -15.46 8.63 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.179 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.36 29.58 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 0.0 110.716 -179.582 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.0 m -102.78 -162.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.6 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.03 119.79 33.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 110.334 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.476 ' HA2' HD12 ' A' ' 98' ' ' LEU . . . -114.46 114.43 3.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.334 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.621 ' O ' HD13 ' A' ' 96' ' ' ILE . 18.2 p -114.96 158.57 21.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 0.0 111.18 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.64 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.6 p -111.76 105.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -117.46 154.27 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.389 -179.853 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.7 74.77 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.012 0.434 . . . . 0.0 110.45 179.351 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.2 t-80 -55.76 138.56 70.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.359 -179.752 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.69 -19.6 9.81 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.715 2.276 . . . . 0.0 112.285 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.454 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -81.94 -25.02 35.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.986 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.501 ' HD2' HG21 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -118.86 -52.01 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.59 90.02 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.561 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 71.92 91.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 111.008 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.675 HG12 ' HA ' ' A' ' 61' ' ' GLN . 16.7 m -143.59 148.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.917 HD12 ' CG1' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -83.93 126.17 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.369 179.807 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.506 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -100.67 109.39 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.907 -178.951 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.833 ' O ' HD23 ' A' ' 57' ' ' LEU . 2.7 mp -91.93 164.43 13.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.594 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.3 140.36 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 111.19 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.16 -169.9 54.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.407 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.899 ' HA ' HD11 ' A' ' 48' ' ' ILE . 6.6 p-10 -90.22 87.03 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.081 0.467 . . . . 0.0 110.584 179.753 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -105.22 4.02 30.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.138 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.429 ' HG2' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -48.02 -28.02 2.57 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.785 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.13 -27.0 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.972 179.749 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -86.44 -32.12 21.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.115 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.702 ' CG2' HD12 ' A' ' 46' ' ' ILE . 9.2 tp -65.44 -50.28 73.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.041 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.728 ' HB2' HD22 ' A' ' 121' ' ' LEU . 6.3 p -57.12 -36.3 70.51 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.252 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -31.75 64.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.4 178.514 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.702 ' CE1' HG21 ' A' ' 113' ' ' ILE . 67.7 t80 -73.5 -44.15 58.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.352 179.312 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.684 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 3.8 mp -58.98 -29.57 67.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.781 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 107' ' ' CYS . 46.9 t -92.38 -29.35 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.46 -41.48 72.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.894 HD11 HD22 ' A' ' 115' ' ' LEU . 8.9 pt -89.85 -25.56 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.179 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.44 28.82 8.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.798 -179.274 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.894 HD22 HD11 ' A' ' 113' ' ' ILE . 4.3 tp -76.79 -71.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.802 -179.839 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.684 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -91.35 -178.35 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 179.563 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.19 153.77 27.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.673 179.621 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.428 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 6.7 p-10 -59.64 -29.06 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -23.72 39.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.281 179.25 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 122' ' ' LYS . 13.1 mt-30 -91.22 -3.52 56.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.879 179.45 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.728 HD22 ' HB2' ' A' ' 107' ' ' CYS . 29.4 mt -57.32 86.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.985 0.421 . . . . 0.0 111.029 -179.693 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 120' ' ' GLN . 14.0 mmtt -109.21 80.2 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.373 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 123' ' ' VAL . 12.7 p -92.78 125.83 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.863 -179.245 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.508 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 12.9 m-70 -136.27 42.6 2.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.539 179.492 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.491 ' HA2' ' HB ' ' A' ' 48' ' ' ILE . . . -58.32 87.75 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.805 -179.544 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.999 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.904 0.383 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.478 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.0 m-30 -61.5 175.74 0.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.461 HG12 ' HB3' ' A' ' 120' ' ' GLN . 29.7 mm -114.64 101.06 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.272 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.483 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -64.5 143.07 58.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.186 -179.003 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.578 HG13 HG22 ' A' ' 60' ' ' VAL . 1.2 mp -137.21 103.58 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.267 178.759 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.9 mmm-85 -123.32 138.31 54.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 0.0 111.847 -178.783 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.696 HG23 HG22 ' A' ' 56' ' ' THR . 20.0 mt -92.84 154.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.855 179.379 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.422 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.3 pt20 -139.22 92.43 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.487 179.163 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.548 ' HG3' HG23 ' A' ' 56' ' ' THR . 3.0 tt0 -92.96 116.63 29.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.561 -179.242 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.08 126.12 37.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.169 179.307 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.71 21.64 11.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.733 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.65 35.53 92.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.733 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' THR . 50.2 mtt-85 -153.57 -64.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.681 0.24 . . . . 0.0 111.392 179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.06 81.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.591 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.734 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -83.91 140.68 31.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.398 -179.419 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.823 HD23 ' HG2' ' A' ' 97' ' ' GLN . 1.4 mp -145.74 116.29 7.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.198 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -92.47 128.66 38.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 111.347 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.891 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -109.69 149.66 29.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.06 179.715 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.578 HG22 HG13 ' A' ' 46' ' ' ILE . 71.4 t -123.8 123.82 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.65 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.739 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -114.74 139.83 49.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.527 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.03 -28.3 8.09 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.079 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.909 HG23 ' CE2' ' A' ' 67' ' ' TYR . 4.6 mm -61.16 147.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.691 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.674 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -90.28 129.29 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.486 -179.352 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -57.93 -21.45 43.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.558 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -26.22 68.21 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.909 ' CE2' HG23 ' A' ' 63' ' ' ILE . 7.0 m-30 -48.45 172.43 0.01 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.811 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' LEU . 10.3 t0 -80.05 62.56 4.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.079 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.419 ' HA ' ' HB2' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -30.37 -55.58 0.19 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.22 -179.446 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -48.32 -48.14 36.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HA ' ' HB3' ' A' ' 74' ' ' LYS . 17.4 mttm -89.61 -14.96 33.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.529 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.908 HD21 HD21 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -58.44 -45.54 88.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.762 0.315 . . . . 0.0 111.053 -179.7 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.891 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -101.43 -30.89 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.153 179.613 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 71' ' ' LYS . 0.7 OUTLIER -60.22 -42.94 96.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.499 179.821 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.3 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.284 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.681 ' CD2' HD22 ' A' ' 98' ' ' LEU . 13.0 t80 -60.36 -43.71 96.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.379 179.35 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -65.64 -15.47 62.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.307 179.823 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -95.72 -18.93 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.358 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -103.97 -37.62 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.671 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 6.1 m-85 -114.45 -16.82 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.479 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 67.47 35.28 4.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.985 0.421 . . . . 0.0 110.636 -179.576 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.1 m -113.05 157.24 21.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.717 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.28 113.73 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.52 113.34 3.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.296 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 96' ' ' ILE . 30.8 p -118.71 155.98 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 111.273 -179.644 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.59 ' HA ' HD13 ' A' ' 96' ' ' ILE . 13.9 p -103.39 121.47 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.533 HG13 HG23 ' A' ' 95' ' ' VAL . 2.3 pt -128.7 147.24 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.826 0.346 . . . . 0.0 111.342 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -101.9 74.18 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.051 0.453 . . . . 0.0 110.259 179.317 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.444 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.6 t-80 -53.43 142.91 38.45 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.522 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 86.4 Cg_endo -81.61 -27.63 2.58 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.682 2.255 . . . . 0.0 112.418 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.34 -20.36 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.255 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.413 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 1.5 m-85 -119.44 -49.8 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.165 -179.629 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.41 101.8 1.3 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.649 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 64.94 94.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 111.228 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.739 HG12 ' HA ' ' A' ' 61' ' ' GLN . 28.8 m -144.7 151.31 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.891 HD12 ' CG1' ' A' ' 73' ' ' VAL . 1.5 mm -96.46 124.97 49.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.252 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.891 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.2 tt0 -100.49 110.1 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.81 -179.086 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.922 HD11 HD13 ' A' ' 106' ' ' ILE . 3.6 mt -93.59 159.67 15.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.707 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.74 143.16 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.941 0.4 . . . . 0.0 111.266 -179.604 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.94 169.91 25.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.428 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.432 ' HA ' HD13 ' A' ' 48' ' ' ILE . 4.4 p-10 -68.81 92.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.618 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.461 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -106.82 6.78 29.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.581 -179.637 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -44.83 -29.56 0.82 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.709 0.29 . . . . 0.0 111.592 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -101.52 -20.8 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.268 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -87.93 -38.23 15.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.441 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.922 HD13 HD11 ' A' ' 98' ' ' LEU . 5.4 tp -66.73 -49.92 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.374 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.78 ' HB2' HD22 ' A' ' 121' ' ' LEU . 7.2 p -53.12 -34.42 56.63 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.592 0.711 . . . . 0.0 109.173 178.747 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 112' ' ' GLU . 5.7 mm-40 -66.42 -51.5 56.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.978 178.786 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.799 ' CE2' HD13 ' A' ' 113' ' ' ILE . 67.3 t80 -52.57 -54.38 33.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.267 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.707 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 6.0 mp -54.44 -28.77 46.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.021 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.562 HG21 HD11 ' A' ' 121' ' ' LEU . 62.0 t -93.32 -24.67 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.201 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 108' ' ' GLN . 3.5 mm-40 -79.02 -45.77 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.871 HD11 HD22 ' A' ' 115' ' ' LEU . 12.5 pt -83.79 -15.24 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.441 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.69 32.31 18.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.56 -179.172 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.908 HD21 HD21 ' A' ' 72' ' ' LEU . 6.1 tp -80.84 -74.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.659 0.266 . . . . 0.0 111.143 -179.509 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.707 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -83.76 -163.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.322 179.545 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.479 ' HB2' ' NE2' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -120.76 146.9 46.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.324 179.352 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -57.91 -32.02 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 0.0 110.526 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.0 -27.26 43.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.154 179.122 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.479 ' NE2' ' HB2' ' A' ' 117' ' ' LYS . 74.7 mt-30 -81.48 -11.29 59.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.174 179.586 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 107' ' ' CYS . 64.1 mt -52.17 91.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.042 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.07 75.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.962 -179.822 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.5 p -86.7 118.84 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.427 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 69.4 m-70 -114.94 -31.16 6.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.366 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 62.57 -115.41 7.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.277 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.916 0.389 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.572 ' O ' HD13 ' A' ' 44' ' ' ILE . 13.9 m-30 -82.59 173.96 11.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.602 -179.278 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 43' ' ' TYR . 50.6 mm -131.49 82.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.322 179.406 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.553 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -52.79 139.17 27.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.524 -178.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.673 HD12 ' CG2' ' A' ' 106' ' ' ILE . 24.4 mm -99.68 -99.73 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.929 178.544 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.494 ' N ' HG22 ' A' ' 46' ' ' ILE . 1.3 tmt_? 86.58 123.38 0.03 OUTLIER 'General case' 0 C--N 1.345 0.401 0 CA-C-O 121.182 0.515 . . . . 0.0 112.285 178.647 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.518 ' CG2' HG22 ' A' ' 56' ' ' THR . 8.4 mt -105.26 155.54 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.281 179.087 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.427 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.2 pt20 -138.26 99.14 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.918 0.39 . . . . 0.0 110.684 179.497 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.466 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 2.1 tt0 -97.52 113.2 24.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.221 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.23 121.36 36.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.38 179.666 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.5 t30 73.46 22.69 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.54 44.97 97.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.545 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -171.74 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -72.48 63.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.683 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.518 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -72.7 134.27 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 98' ' ' LEU . 2.4 mt -144.17 99.39 3.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.5 m -72.65 135.44 45.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -117.22 153.59 32.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 111.315 179.846 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.486 ' CG2' HG12 ' A' ' 106' ' ' ILE . 61.8 t -123.4 121.51 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.095 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.592 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -118.42 140.06 50.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.493 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.47 -24.83 13.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.274 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.859 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -69.08 146.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -80.28 141.6 35.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -68.97 -10.64 58.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.19 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -94.31 26.27 3.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.488 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.859 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.5 m-30 -87.97 31.78 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.562 0.22 . . . . 0.0 111.275 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t70 78.19 -11.5 1.2 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.733 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.9 -79.73 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.661 0.267 . . . . 0.0 111.259 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -52.37 -66.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.123 -179.823 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -47.45 -26.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.434 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 115' ' ' LEU . 1.0 OUTLIER -63.49 -69.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.214 -179.934 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.59 HG21 ' C ' ' A' ' 84' ' ' GLY . 8.1 p -82.7 -38.36 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.645 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.01 -43.95 40.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.97 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -62.18 -31.92 72.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 179.513 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 98' ' ' LEU . 5.9 t80 -60.64 -45.63 93.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.493 179.617 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -10.39 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -105.71 -20.45 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.679 0.276 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.475 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 tmtm? -95.54 -39.02 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.299 -179.771 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.554 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 11.1 m-85 -112.38 -21.41 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.445 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.8 33.3 0.62 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.892 0.377 . . . . 0.0 110.591 -179.459 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.1 m -104.81 -167.3 1.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.75 119.22 29.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.654 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.59 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -125.94 139.96 11.81 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.658 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.3 p -123.3 177.54 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 111.26 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.698 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.6 p -124.87 84.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.056 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.75 153.99 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.05 0.452 . . . . 0.0 111.533 -179.592 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -105.12 74.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.33 179.349 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.44 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.5 t-80 -56.3 143.05 66.43 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.381 -179.476 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 84.2 Cg_endo -82.16 -27.46 2.37 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.639 2.226 . . . . 0.0 112.307 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -80.94 -21.53 40.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.224 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.428 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 1.3 m-85 -119.31 -47.64 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.12 -179.613 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.73 104.63 1.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.672 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 57.29 93.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 61' ' ' GLN . 31.2 m -145.04 144.12 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.522 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -73.71 157.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.445 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.435 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -135.15 97.47 3.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.786 0.327 . . . . 0.0 111.473 -179.221 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.05 HD11 HD13 ' A' ' 106' ' ' ILE . 3.6 mt -85.93 156.38 20.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.328 179.135 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -91.77 143.78 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.178 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.68 176.73 45.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.23 84.06 5.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 110.592 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.489 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.6 mp0 -96.03 12.37 30.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.161 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -47.7 -28.58 2.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.45 -21.18 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -89.2 -37.3 15.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.149 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 1.05 HD13 HD11 ' A' ' 98' ' ' LEU . 4.8 tp -63.86 -52.0 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.027 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.727 ' HB2' HD22 ' A' ' 121' ' ' LEU . 11.2 p -57.77 -32.5 67.56 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.097 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -70.35 -37.05 74.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.464 178.601 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.864 ' CE2' HD13 ' A' ' 113' ' ' ILE . 73.8 t80 -69.17 -47.51 64.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.236 179.092 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 116' ' ' ALA . 5.6 mp -52.61 -33.01 44.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.891 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.87 -37.47 8.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 109.785 179.247 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 109' ' ' PHE . 1.2 tt0 -61.47 -26.48 67.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.011 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.881 HD11 HD22 ' A' ' 115' ' ' LEU . 7.0 pt -109.86 -27.61 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 111.533 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 101.3 23.19 9.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.985 -179.419 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.881 HD22 HD11 ' A' ' 113' ' ' ILE . 3.3 tp -73.73 -72.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.74 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.665 ' CB ' HD23 ' A' ' 110' ' ' LEU . . . -95.16 166.27 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.403 ' CB ' ' HG3' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -100.88 152.39 20.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.453 179.699 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.7 p-10 -57.33 -27.17 61.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.77 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 -26.16 41.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.455 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 44.2 mt-30 -85.39 -15.54 42.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.145 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.727 HD22 ' HB2' ' A' ' 107' ' ' CYS . 50.5 mt -49.86 110.14 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.633 -179.379 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.473 ' HG3' ' HB3' ' A' ' 43' ' ' TYR . 1.3 mmmm -132.83 80.41 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.742 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.469 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 10.2 p -87.38 121.55 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 -179.368 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.553 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 43.5 m-70 -123.46 75.01 1.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.123 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.76 120.64 23.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.247 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.295 -0.859 . . . . 0.0 111.372 -179.743 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.454 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 121.078 0.466 . . . . 0.0 111.028 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.411 ' HA ' ' HB3' ' A' ' 120' ' ' GLN . 18.6 m-30 -66.75 166.06 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.038 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.554 HD13 ' HA3' ' A' ' 62' ' ' GLY . 49.3 mm -118.13 106.85 20.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.204 179.425 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.76 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -67.05 143.47 56.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.375 -178.819 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.76 HD12 ' O ' ' A' ' 45' ' ' HIS . 1.6 mp -140.26 101.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.114 178.647 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -126.91 149.69 49.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.302 0.572 . . . . 0.0 112.259 -178.612 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.816 HG23 HG22 ' A' ' 56' ' ' THR . 40.3 mt -101.87 153.43 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.448 179.223 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.484 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -132.9 82.73 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.212 0.53 . . . . 0.0 110.416 178.93 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.725 ' CG ' HG23 ' A' ' 56' ' ' THR . 1.7 tt0 -96.52 125.85 41.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.733 -179.681 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' ARG . 31.9 mtp85 -91.58 121.42 33.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.067 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.2 t30 55.57 26.5 9.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.97 -4.96 84.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.387 -179.596 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 4.9 mtp180 -119.86 -171.13 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.709 0.29 . . . . 0.0 110.694 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.83 78.27 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.19 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.816 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -90.48 131.69 36.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.514 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 98' ' ' LEU . 4.9 mt -137.22 94.29 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.027 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 53.3 m -68.61 142.37 55.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.397 -179.741 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.42 ' CG2' ' HG3' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -125.87 143.88 50.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.742 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.518 ' CG2' HG12 ' A' ' 106' ' ' ILE . 59.3 t -118.84 124.57 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.499 ' HG3' ' HB3' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -118.9 138.54 52.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.453 179.69 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.554 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 115.63 -26.82 8.74 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.104 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.876 HG23 ' CE2' ' A' ' 67' ' ' TYR . 11.3 mm -63.19 144.08 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.604 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -85.3 131.7 34.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.242 -179.705 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -60.94 -19.07 60.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.73 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.18 -21.26 65.8 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.876 ' CE2' HG23 ' A' ' 63' ' ' ILE . 6.8 m-30 -48.9 172.78 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.744 0.306 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -52.56 -26.69 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -179.834 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.69 -76.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.756 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -61.2 2.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.322 179.42 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -22.4 63.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.681 179.338 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.754 ' HG ' HD21 ' A' ' 115' ' ' LEU . 1.8 tt -56.12 -64.24 0.92 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.88 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -86.75 -27.62 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.27 179.829 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -43.18 85.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.921 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.51 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -67.18 -31.96 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' HE2' HE21 ' A' ' 102' ' ' GLN . 6.4 t80 -59.12 -54.94 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 179.85 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -59.26 -18.06 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.408 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -96.31 -20.31 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.606 0.241 . . . . 0.0 111.418 -179.684 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -101.93 -31.0 10.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.606 -179.505 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.494 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 29.6 m-85 -115.75 -17.0 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.492 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 72.09 28.01 2.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.586 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 22.9 m -104.29 -166.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.67 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.08 118.14 30.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.397 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.11 118.48 4.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.389 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.5 p -125.3 143.6 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 111.194 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.629 HG13 HG12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -97.92 101.94 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 179.655 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.706 HD12 ' HB2' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -113.65 154.92 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.941 0.4 . . . . 0.0 111.296 -179.818 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -97.44 75.01 2.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.346 179.407 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.416 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -49.64 140.37 14.56 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.38 -179.672 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.43 -21.02 10.57 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.532 2.155 . . . . 0.0 112.24 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.3 OUTLIER -80.89 -23.57 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.496 ' CD2' HG11 ' A' ' 95' ' ' VAL . 1.3 m-85 -119.06 -49.1 2.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.17 -179.47 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 94' ' ' GLU . . . 116.16 -15.74 15.6 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.946 179.809 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 93' ' ' GLY . 15.0 tt0 177.15 111.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.68 0.276 . . . . 0.0 110.581 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.587 ' O ' HD13 ' A' ' 87' ' ' ILE . 29.9 m -155.54 155.99 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 0.0 111.359 -179.778 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.88 HD12 ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -90.98 122.07 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.063 179.402 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.706 ' HB2' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -96.66 116.53 29.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.718 -179.047 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.764 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.2 mt -103.43 158.52 16.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.808 178.801 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.88 130.83 44.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.893 0.377 . . . . 0.0 110.786 179.735 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.45 162.11 36.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.176 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.422 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 16.7 p30 -67.46 77.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.516 ' O ' HG22 ' A' ' 106' ' ' ILE . 7.1 mm100 -84.7 1.55 45.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.466 -179.639 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -29.23 0.27 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.775 0.322 . . . . 0.0 111.635 -179.828 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -23.08 13.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.222 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 108' ' ' GLN . 16.2 m-80 -89.92 -37.82 14.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.433 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.673 HD13 HD11 ' A' ' 98' ' ' LEU . 6.6 tp -63.56 -49.8 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.68 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.646 ' HB2' HD22 ' A' ' 121' ' ' LEU . 5.5 p -55.32 -33.36 63.25 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.101 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 105' ' ' ASN . 28.1 mm-40 -68.9 -48.08 64.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.714 178.483 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.9 ' CE2' HD13 ' A' ' 113' ' ' ILE . 74.7 t80 -59.76 -50.49 73.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.704 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 6.6 mp -53.97 -30.32 46.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 107' ' ' CYS . 86.1 t -93.27 -27.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.163 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.22 -41.36 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.922 HD11 HD22 ' A' ' 115' ' ' LEU . 11.2 pt -88.84 -26.33 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.42 -179.874 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.01 30.9 6.48 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 -179.456 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 113' ' ' ILE . 3.5 tp -80.32 -70.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 110.633 -179.822 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -91.33 -167.59 1.84 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.513 179.404 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 155.72 45.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.627 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.425 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 2.7 p30 -62.44 -28.26 69.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.983 0.42 . . . . 0.0 110.362 179.806 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -79.48 -21.81 44.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.117 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 42' ' ' ASP . 36.1 mt-30 -97.83 -1.81 42.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.082 179.654 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.646 HD22 ' HB2' ' A' ' 107' ' ' CYS . 21.1 mt -59.22 87.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.791 0.329 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -104.28 73.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.757 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.1 p -78.33 122.03 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.313 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.472 ' CD2' ' CE1' ' A' ' 45' ' ' HIS . 90.2 m-70 -126.36 63.7 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -54.66 120.16 15.57 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.241 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.412 ' CZ ' ' OE1' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.209 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.937 0.399 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.407 ' HB2' ' HG3' ' A' ' 122' ' ' LYS . 9.4 m-85 -71.72 175.57 5.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.187 -179.662 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.463 HG12 ' HB3' ' A' ' 120' ' ' GLN . 24.1 mm -110.4 103.53 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.727 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -74.51 131.76 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.825 -179.394 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.877 HG13 HG13 ' A' ' 123' ' ' VAL . 27.4 mm -92.19 -98.95 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.157 178.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.8 ttt180 85.14 126.59 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.286 0.565 . . . . 0.0 112.355 178.733 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.821 HG23 HG22 ' A' ' 56' ' ' THR . 3.1 mt -103.38 157.83 5.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.218 179.036 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.7 pt20 -140.76 94.83 2.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.999 0.428 . . . . 0.0 111.076 179.478 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.497 ' CG ' HG23 ' A' ' 56' ' ' THR . 1.0 OUTLIER -95.99 114.74 26.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.678 179.825 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -55.41 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.597 -179.401 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.72 22.68 9.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.709 0.29 . . . . 0.0 110.985 -179.754 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.1 14.35 60.69 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.299 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.46 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -139.82 -45.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.695 0.284 . . . . 0.0 111.046 -179.901 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -74.75 66.34 1.47 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.033 0.444 . . . . 0.0 110.423 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.821 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -74.18 143.0 45.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.209 -179.469 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 98' ' ' LEU . 2.4 mt -141.18 92.86 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.8 m -69.58 119.44 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.974 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -103.35 165.65 10.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.012 0.434 . . . . 0.0 111.162 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG2' HG12 ' A' ' 106' ' ' ILE . 41.6 t -134.23 117.54 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.265 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.863 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -111.41 141.05 45.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.277 179.474 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.7 -24.03 18.25 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.282 -179.637 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.829 HG23 ' CD2' ' A' ' 67' ' ' TYR . 5.1 mm -73.64 145.6 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 111.191 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -82.49 138.84 34.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -66.55 -12.35 57.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.42 24.34 3.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.461 -179.85 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.967 ' CB ' HD21 ' A' ' 72' ' ' LEU . 4.9 m-30 -85.14 23.35 1.27 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.489 179.72 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 26.8 t0 80.91 -17.75 0.55 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 tttt 64.37 -73.93 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.676 0.274 . . . . 0.0 111.349 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -51.67 -47.06 63.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.26 -179.825 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -58.21 -13.93 6.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.622 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.967 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -97.33 -58.46 2.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.581 0.229 . . . . 0.0 111.049 -179.814 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.559 HG22 ' HA3' ' A' ' 84' ' ' GLY . 3.4 t -79.36 -50.92 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -52.49 -43.28 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.026 0.441 . . . . 0.0 110.076 179.666 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.32 -48.7 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.374 179.117 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.659 ' CD2' HD22 ' A' ' 98' ' ' LEU . 14.6 t80 -46.55 -46.93 19.68 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.978 179.493 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 3.1 mtpm? -62.81 -24.46 67.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -85.03 -18.21 35.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.27 -179.726 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -104.56 -35.97 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.057 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 6.3 m-85 -118.93 -10.68 9.83 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.46 32.36 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.655 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 77' ' ' LYS . 18.6 m -107.82 157.71 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.593 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.06 122.5 29.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.629 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.559 ' HA3' HG22 ' A' ' 73' ' ' VAL . . . -113.32 128.03 8.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.232 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.8 p -129.54 115.43 17.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.402 . . . . 0.0 111.487 -179.702 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 86' ' ' VAL . 10.1 p -75.04 111.75 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.853 179.614 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.39 159.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.986 0.422 . . . . 0.0 111.389 -179.781 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -108.95 71.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.401 179.445 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -54.71 135.36 64.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.238 -179.523 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.56 -17.83 14.11 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.57 2.18 . . . . 0.0 112.248 179.75 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.472 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -82.18 -24.2 35.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -123.5 -52.17 1.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.664 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.17 105.2 2.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.631 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 58.42 90.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.863 HG12 ' HA ' ' A' ' 61' ' ' GLN . 27.4 m -144.19 137.89 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.662 ' O ' HG22 ' A' ' 59' ' ' THR . 1.2 mm -71.92 157.55 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.966 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.657 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -133.66 95.46 3.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.808 0.337 . . . . 0.0 111.313 -179.402 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.029 HD11 HD13 ' A' ' 106' ' ' ILE . 8.4 mt -85.53 156.3 20.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.313 179.252 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.46 142.18 27.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.126 -179.728 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.16 177.07 51.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.449 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -80.29 75.39 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.013 0.435 . . . . 0.0 110.757 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.422 ' NE2' ' SG ' ' A' ' 82' ' ' CYS . 1.7 mp0 -89.77 9.07 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.846 ' HG2' HG12 ' A' ' 123' ' ' VAL . 7.0 tmm_? -48.2 -28.84 3.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -21.37 15.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -87.59 -33.82 18.74 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.733 0.301 . . . . 0.0 111.245 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 1.029 HD13 HD11 ' A' ' 98' ' ' LEU . 7.7 tp -65.82 -50.3 71.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.349 -179.658 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.608 ' HB2' HD22 ' A' ' 121' ' ' LEU . 21.9 p -52.3 -34.81 48.54 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.465 0.65 . . . . 0.0 109.271 178.717 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 112' ' ' GLU . 5.5 mm-40 -67.05 -50.68 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.809 178.697 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.772 ' CE2' HD13 ' A' ' 113' ' ' ILE . 57.2 t80 -58.02 -40.8 81.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.653 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.0 mp -59.48 -32.08 69.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.773 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.8 t -95.99 -23.41 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.253 0.549 . . . . 0.0 110.316 179.19 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.604 ' HB2' ' HA ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -68.6 -44.14 74.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.929 179.692 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.977 HD11 HD22 ' A' ' 115' ' ' LEU . 4.5 pt -96.73 -26.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.52 -179.41 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.54 29.33 5.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.853 -179.444 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.977 HD22 HD11 ' A' ' 113' ' ' ILE . 2.0 tp -75.96 -72.86 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 -179.839 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.653 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -95.04 148.85 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.628 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 147.57 31.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.52 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.29 -31.69 22.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.966 0.413 . . . . 0.0 110.689 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -78.47 -28.04 46.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.099 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.463 ' HB3' HG12 ' A' ' 44' ' ' ILE . 68.7 mt-30 -80.61 -11.55 59.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.069 179.627 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.608 HD22 ' HB2' ' A' ' 107' ' ' CYS . 65.6 mt -52.34 87.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.89 0.376 . . . . 0.0 111.257 -179.592 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 120' ' ' GLN . 11.0 mmtt -108.29 88.58 2.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.291 179.727 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.877 HG13 HG13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -98.71 127.32 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.458 -179.327 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 11.7 m-70 -134.85 68.74 1.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.256 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -57.04 120.05 18.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.156 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.271 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.6 t0 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.899 0.381 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.435 ' CD2' ' HE3' ' A' ' 122' ' ' LYS . 14.7 m-85 -66.78 175.28 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.571 HG21 HD11 ' A' ' 63' ' ' ILE . 19.3 mm -112.33 95.03 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.254 179.364 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 138.6 54.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.898 -179.15 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.992 HD13 HG22 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -142.48 106.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.525 179.324 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -127.55 150.12 49.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.164 0.506 . . . . 0.0 112.264 -178.636 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.686 ' CG2' HG22 ' A' ' 56' ' ' THR . 50.5 mt -102.88 157.37 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.476 179.331 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -140.72 93.73 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.409 179.296 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.537 ' HG3' HG23 ' A' ' 56' ' ' THR . 1.9 tt0 -92.34 111.54 23.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.234 -179.473 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -90.88 126.71 36.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.481 179.589 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 64.96 22.62 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.792 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.96 47.95 86.71 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.538 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 2.4 ptm180 -170.85 -44.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.283 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -72.16 65.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.001 0.429 . . . . 0.0 110.762 -179.902 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.686 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -74.76 131.35 40.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.745 -179.958 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.853 HD23 ' O ' ' A' ' 98' ' ' LEU . 4.6 mt -140.14 98.79 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.805 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.9 m -71.69 112.5 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -100.43 150.09 22.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.054 179.741 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.992 HG22 HD13 ' A' ' 46' ' ' ILE . 55.2 t -122.17 126.03 73.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.29 179.741 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.743 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -122.31 144.81 48.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.332 179.741 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.76 -26.16 18.65 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.161 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.872 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.8 mm -67.25 146.0 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.033 0.444 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.624 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.54 137.98 37.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.093 179.836 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.98 -13.72 60.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.239 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -94.92 29.25 2.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.261 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.964 ' CB ' HD21 ' A' ' 72' ' ' LEU . 3.9 m-30 -88.28 24.56 1.85 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.415 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 15.4 t0 81.64 -18.49 0.48 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.31 -74.82 0.05 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.795 0.331 . . . . 0.0 111.361 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 45.1 mttp -51.54 -42.38 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.472 -179.539 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.97 -1.29 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.018 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.964 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -107.12 -70.03 0.81 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.654 0.264 . . . . 0.0 111.1 -179.654 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.437 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 4.1 p -78.13 -45.79 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.064 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -62.01 -44.43 96.74 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.94 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.23 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.062 178.814 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.606 ' CE1' HD21 ' A' ' 98' ' ' LEU . 16.6 t80 -48.18 -48.7 34.47 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.57 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -71.54 -4.62 27.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.743 -179.927 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.56 -21.51 13.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.725 179.754 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 5.6 tmtm? -88.24 -49.58 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.214 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.544 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -108.82 -16.34 14.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.626 -179.746 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.55 33.8 0.63 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.154 0.502 . . . . 0.0 110.324 -179.266 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 16.4 m -97.03 -174.57 3.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 99' ' ' GLN . 11.5 m120 -105.87 122.93 47.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.332 179.89 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.38 157.83 19.62 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.852 -179.502 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.6 p -153.43 150.54 28.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.828 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.7 p -114.63 111.47 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.791 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.417 HG12 ' HB2' ' A' ' 97' ' ' GLN . 13.1 pt -123.84 163.72 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.436 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -112.92 76.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.927 178.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -52.53 133.28 44.9 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.48 -179.38 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.94 -14.6 17.0 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.546 2.164 . . . . 0.0 112.347 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.457 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -85.12 -24.09 28.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.457 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.3 m-85 -126.17 -54.57 1.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.933 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.74 -112.81 0.71 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.209 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.55 89.9 4.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.769 0.319 . . . . 0.0 110.686 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 61' ' ' GLN . 30.3 m -124.44 141.79 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.49 -179.672 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.658 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -74.26 159.98 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.631 179.257 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.639 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -133.29 82.11 1.97 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.883 0.373 . . . . 0.0 111.437 -179.486 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.853 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -65.68 167.11 9.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.057 179.109 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.453 ' CB ' ' HB2' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -109.75 130.95 55.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.748 179.701 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.412 ' HA2' ' HB ' ' A' ' 56' ' ' THR . . . 88.16 178.63 47.22 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.971 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.489 ' HA ' HD13 ' A' ' 48' ' ' ILE . 19.2 p30 -80.24 73.75 7.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.959 0.409 . . . . 0.0 110.385 179.566 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.442 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -89.3 7.31 36.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.275 -179.558 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -28.37 1.92 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.027 0.441 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -92.64 -27.6 17.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.737 179.504 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -82.6 -39.11 22.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.52 HG23 ' N ' ' A' ' 107' ' ' CYS . 8.9 tp -65.48 -49.74 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.822 ' SG ' HD22 ' A' ' 121' ' ' LEU . 34.0 t -56.72 -35.22 68.29 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.033 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -33.07 64.09 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.45 178.561 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.797 ' CE2' HD13 ' A' ' 113' ' ' ILE . 67.6 t80 -72.2 -45.15 61.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.333 179.423 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.426 HD23 ' HB3' ' A' ' 116' ' ' ALA . 4.8 mp -58.84 -29.48 66.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.753 179.876 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 107' ' ' CYS . 52.3 t -92.44 -28.95 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.051 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.75 -43.82 68.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.825 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.916 HD11 HD22 ' A' ' 115' ' ' LEU . 6.0 pt -89.82 -21.87 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.335 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 90.01 34.31 8.35 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.548 -179.081 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.916 HD22 HD11 ' A' ' 113' ' ' ILE . 4.7 tp -76.97 -73.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.727 0.299 . . . . 0.0 111.141 -179.582 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.426 ' HB3' HD23 ' A' ' 110' ' ' LEU . . . -93.53 159.78 15.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.544 179.735 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -82.89 145.74 29.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.392 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.418 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 1.8 m-20 -53.17 -32.45 47.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.576 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -79.45 -28.47 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.047 179.139 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.422 ' HB3' HG12 ' A' ' 44' ' ' ILE . 75.5 mt-30 -80.11 -8.63 59.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.236 179.496 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.822 HD22 ' SG ' ' A' ' 107' ' ' CYS . 84.5 mt -56.29 88.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.997 0.427 . . . . 0.0 111.077 -179.641 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.435 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 2.2 mmtt -104.48 78.98 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.769 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.84 112.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -114.33 70.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.261 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.68 120.51 14.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.234 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.47 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.46 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.971 0.415 . . . . 0.0 111.115 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.481 ' HB3' ' HG2' ' A' ' 122' ' ' LYS . 20.4 m-30 -62.6 166.66 5.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.752 HG21 ' CD2' ' A' ' 110' ' ' LEU . 0.3 OUTLIER -107.01 79.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 109.448 179.164 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.497 ' NE2' ' NE2' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -62.31 113.17 2.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.969 -178.748 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.734 HD12 ' CG2' ' A' ' 106' ' ' ILE . 16.8 mm -74.7 -93.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.485 178.789 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 79.71 121.65 0.05 OUTLIER 'General case' 0 C--N 1.342 0.27 0 CA-C-O 121.101 0.476 . . . . 0.0 112.0 178.776 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.67 HG23 HG22 ' A' ' 56' ' ' THR . 14.1 mt -97.25 156.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.406 179.271 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.441 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.6 pt20 -141.05 98.53 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 179.196 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.479 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 2.9 tt0 -95.7 125.18 40.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.495 -179.313 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.52 130.04 54.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.365 179.465 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.1 t30 66.0 20.92 11.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.904 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.56 45.75 93.97 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.858 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.0 -37.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.68 0.276 . . . . 0.0 111.533 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -74.83 66.45 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 110.745 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.67 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -76.14 135.84 39.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.99 -179.864 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.809 HD23 ' O ' ' A' ' 98' ' ' LEU . 3.9 mt -141.09 100.77 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.41 HG23 ' CG2' ' A' ' 46' ' ' ILE . 84.3 m -75.42 115.53 15.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -99.42 160.99 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.309 -179.804 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.436 HG13 HG23 ' A' ' 44' ' ' ILE . 45.0 t -127.31 109.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.607 179.398 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.63 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -86.05 55.0 3.34 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 63' ' ' ILE . . . -166.39 -144.97 4.28 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.607 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.028 HG21 HD11 ' A' ' 72' ' ' LEU . 0.8 OUTLIER 58.79 146.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.118 0.485 . . . . 0.0 110.867 179.604 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.64 155.89 18.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.301 -179.546 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.76 -18.96 61.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.237 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.47 35.46 1.34 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.988 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.966 ' CD2' HG23 ' A' ' 63' ' ' ILE . 3.7 m-30 -98.07 29.47 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.827 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' LYS . 2.5 t0 78.8 -10.5 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.003 179.881 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 60.15 -79.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.698 0.285 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' ASP . 6.0 mtpt -53.54 -64.74 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.552 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 1.5 ttpt -48.28 -24.63 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.67 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 1.028 HD11 HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -68.22 -79.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.084 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.448 HG22 ' HA3' ' A' ' 84' ' ' GLY . 3.6 p -83.86 -43.68 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.698 0.285 . . . . 0.0 111.715 -179.36 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 3.1 tmtm? -50.73 -42.18 57.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -66.3 -34.58 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.309 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 8.5 t80 -53.47 -52.22 60.19 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.064 0.459 . . . . 0.0 110.601 179.757 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -63.02 -14.72 51.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.481 179.817 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -20.28 16.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.714 0.292 . . . . 0.0 111.074 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.453 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 17.7 tttp -97.2 -36.92 10.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.542 -179.53 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.556 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 17.4 m-85 -112.9 -18.83 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -179.523 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.61 28.56 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 -179.243 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 77' ' ' LYS . 23.0 m -100.45 -178.79 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.765 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.413 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -106.45 103.88 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 110.548 179.793 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.448 ' HA3' HG22 ' A' ' 73' ' ' VAL . . . -106.84 136.85 13.6 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.558 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.8 p -141.89 123.44 15.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.892 0.377 . . . . 0.0 111.463 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 86' ' ' VAL . 10.2 p -83.93 111.74 20.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.708 179.481 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.56 153.45 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 111.56 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -98.08 69.91 2.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.322 179.4 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.458 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -49.37 133.71 17.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.388 -179.608 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.35 -18.03 16.24 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.474 2.116 . . . . 0.0 112.368 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.458 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -85.59 -26.39 26.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.981 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.692 ' HD2' HG21 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -115.16 -53.63 2.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.945 -179.895 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.76 97.72 2.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.675 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 61.71 84.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.692 HG21 ' HD2' ' A' ' 92' ' ' TYR . 27.9 m -139.64 142.48 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.814 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -80.56 127.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.631 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.603 HE21 HD22 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -104.83 110.54 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.973 0.416 . . . . 0.0 111.867 -178.91 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.809 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.3 mp -95.15 165.86 12.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.629 178.7 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.413 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 6.4 mm-40 -105.92 139.2 40.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.83 -179.49 51.15 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.156 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.457 ' HA ' HD13 ' A' ' 48' ' ' ILE . 9.1 p-10 -78.97 84.67 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.405 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.9 mp0 -103.37 9.88 37.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.343 -179.578 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.485 ' HA ' HG21 ' A' ' 46' ' ' ILE . 3.8 ptm180 -49.43 -28.76 5.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 0.0 111.061 -179.884 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -96.42 -22.0 17.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -86.2 -36.98 19.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.244 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.734 ' CG2' HD12 ' A' ' 46' ' ' ILE . 9.0 tp -66.56 -47.38 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.945 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.679 ' O ' HG23 ' A' ' 111' ' ' VAL . 26.7 p -55.21 -32.52 62.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.307 0.575 . . . . 0.0 109.539 178.788 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -69.54 -47.0 65.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.985 178.9 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.795 ' CE2' HD13 ' A' ' 113' ' ' ILE . 64.8 t80 -58.39 -56.83 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.085 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.752 ' CD2' HG21 ' A' ' 44' ' ' ILE . 6.9 mp -53.85 -27.7 31.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.68 ' CG2' HD11 ' A' ' 121' ' ' LEU . 65.7 t -92.85 -25.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.037 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 108' ' ' GLN . 3.8 mm-40 -79.09 -47.59 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.894 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 1.046 HD11 HD22 ' A' ' 115' ' ' LEU . 12.9 pt -84.27 -0.16 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.44 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.96 30.58 67.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.686 -179.168 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.046 HD22 HD11 ' A' ' 113' ' ' ILE . 5.9 tp -74.1 -70.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 0.0 111.213 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.589 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -93.84 -170.1 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 -179.82 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 154.6 43.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.754 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.787 ' HA ' HD12 ' A' ' 121' ' ' LEU . 5.5 p30 -56.64 -25.59 53.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 4.6 m-20 -77.0 -23.17 52.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.651 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 42' ' ' ASP . 34.1 mt-30 -106.62 12.49 29.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.141 179.73 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.787 HD12 ' HA ' ' A' ' 118' ' ' ASP . 17.1 mt -81.31 57.66 3.3 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.228 0.537 . . . . 0.0 110.738 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -50.75 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.481 -179.293 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.571 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 45.64 105.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 CA-C-O 121.345 0.593 . . . . 0.0 112.402 179.454 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.497 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 9.9 m-70 -118.91 -66.35 1.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 118.32 -131.08 9.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.013 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 1.6 p90 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.876 0.37 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 58.29 30.33 19.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.95 -125.83 3.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -74.69 128.58 35.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -136.08 69.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -144.66 30.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -125.4 168.39 13.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.828 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -86.3 -36.53 19.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -177.73 80.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.2 -79.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p 50.06 88.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.99 80.92 59.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.12 -23.61 22.93 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.596 2.198 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.44 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 19.1 ttt -59.6 -26.44 65.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.032 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.5 m -64.65 -16.3 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.261 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.98 44.42 1.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.837 0.351 . . . . 0.0 111.457 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 14' ' ' MET . 33.7 mt -122.45 86.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.972 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.587 ' HG2' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -117.11 30.4 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 60.16 62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.587 HD23 ' HG2' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -80.77 154.07 27.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.781 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 42.95 90.22 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.296 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.5 t -134.76 31.85 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -173.54 116.05 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.522 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 1.9 m-20 -178.35 100.88 0.21 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.34 -26.7 16.37 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.442 2.095 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 5.7 m-85 -108.16 29.37 7.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . . . -176.49 106.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 t0 59.8 59.8 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -175.91 160.88 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.44 121.35 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -146.41 132.57 19.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.28 125.86 8.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -30.56 69.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.46 -41.79 6.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.27 103.75 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 36' ' ' LEU . 3.7 mm? -102.32 159.17 30.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.74 -59.02 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.564 2.176 . . . . 0.0 112.378 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -174.9 150.81 1.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.43 80.51 0.88 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 2.9 p -112.0 -17.95 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 0.0 111.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 58.67 18.8 6.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.807 0.337 . . . . 0.0 111.302 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.45 62.82 2.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.949 0.404 . . . . 0.0 111.194 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.469 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 18.4 m-30 -69.84 172.82 7.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.744 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.414 HG12 ' HB3' ' A' ' 120' ' ' GLN . 21.0 mm -112.95 96.67 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 110.551 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.531 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -67.91 126.03 28.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.877 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.686 HD12 ' CG2' ' A' ' 106' ' ' ILE . 26.0 mm -84.83 -96.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.462 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.481 ' N ' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.56 125.57 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.284 0.564 . . . . 0.0 112.055 178.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.86 HG23 HG22 ' A' ' 56' ' ' THR . 4.8 mt -108.81 157.46 9.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.32 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 3.9 pt20 -141.9 92.41 2.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 111.024 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.6 tt0 -95.29 97.97 10.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -59.49 4.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.73 -151.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.016 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.53 35.76 3.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.538 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER 174.86 -26.67 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.61 67.13 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.976 0.417 . . . . 0.0 110.607 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.86 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -87.46 150.55 23.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.322 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.753 HD13 ' OE1' ' A' ' 97' ' ' GLN . 2.6 mt -144.75 80.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.408 ' HG1' ' H ' ' A' ' 102' ' ' GLN . 44.3 m -62.59 121.74 14.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.096 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -108.12 162.55 13.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.946 0.403 . . . . 0.0 111.273 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.615 HG12 HG12 ' A' ' 63' ' ' ILE . 38.6 t -128.45 116.69 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.145 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.569 ' NE2' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -114.85 142.91 45.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.401 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.43 -30.07 7.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.882 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' A' ' 67' ' ' TYR . 8.2 mm -57.37 145.81 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.903 0.382 . . . . 0.0 111.079 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.611 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.69 134.34 36.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.34 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -63.31 -17.7 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -68.45 -25.29 64.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.773 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.4 m-30 -49.44 158.39 0.42 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.034 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -74.51 82.93 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.448 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -36.85 -41.72 0.34 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.739 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 4.8 mptt -66.3 -67.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.723 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -58.52 -20.37 45.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.245 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.718 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.7 tt -65.58 -68.98 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.324 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.55 HG21 ' C ' ' A' ' 84' ' ' GLY . 7.9 p -83.05 -44.99 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.792 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.472 ' N ' HG13 ' A' ' 73' ' ' VAL . 2.4 tttm -47.85 -42.15 25.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.75 70.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.694 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.823 ' CE2' HD22 ' A' ' 98' ' ' LEU . 7.9 t80 -60.64 -44.24 96.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.496 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -8.97 57.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.199 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.78 -20.22 15.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.683 0.278 . . . . 0.0 111.167 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -96.32 -49.11 5.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.547 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.46 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -107.73 -16.19 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.585 -179.411 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 69.39 40.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.0 110.998 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.83 167.07 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.804 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -87.19 109.24 19.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.55 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -118.11 139.54 14.77 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.668 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -137.17 167.46 21.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.784 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.562 ' O ' HG13 ' A' ' 86' ' ' VAL . 13.1 p -117.2 113.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.5 pt -119.35 145.66 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.309 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -102.37 75.18 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.468 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -56.35 137.45 75.46 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.135 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.57 -22.35 7.99 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.636 2.224 . . . . 0.0 112.289 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -82.35 -25.39 33.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CD2' ' NE2' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -117.33 -50.9 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.819 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.94 103.36 2.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.726 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 58.03 91.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.213 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 61' ' ' GLN . 25.9 m -142.54 128.39 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.703 ' O ' HG22 ' A' ' 59' ' ' THR . 1.1 mm -68.83 153.81 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.23 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.753 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -127.85 105.32 8.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 111.426 -179.314 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.052 HD11 HD13 ' A' ' 106' ' ' ILE . 9.6 mt -93.74 157.3 16.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.031 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -94.49 138.17 32.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.858 0.361 . . . . 0.0 111.037 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.45 166.98 24.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.57 93.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.847 0.356 . . . . 0.0 110.758 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -105.58 9.24 33.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.967 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.405 ' HG2' HD11 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -48.08 -27.38 2.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.343 . . . . 0.0 111.287 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -97.0 -21.57 17.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.393 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -93.53 -37.24 12.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.249 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 1.052 HD13 HD11 ' A' ' 98' ' ' LEU . 6.2 tp -64.56 -50.89 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.127 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.606 ' HB3' HD22 ' A' ' 121' ' ' LEU . 15.9 m -57.15 -36.26 70.51 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -33.0 69.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.397 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.825 ' CE2' HD13 ' A' ' 113' ' ' ILE . 76.5 t80 -72.48 -45.71 58.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.537 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.2 mp -56.68 -30.28 63.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.72 -30.73 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.52 -37.69 80.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.825 HD13 ' CE2' ' A' ' 109' ' ' PHE . 7.6 pt -95.09 -26.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.278 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.97 29.48 8.03 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.86 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.718 HD21 ' HG ' ' A' ' 72' ' ' LEU . 5.9 tp -75.19 -70.24 0.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.885 0.374 . . . . 0.0 110.722 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.86 -164.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.462 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.477 ' HB2' ' NE2' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -125.52 144.49 50.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.335 179.464 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 8.4 m-20 -52.42 -30.47 29.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.822 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.0 -25.78 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.352 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.477 ' NE2' ' HB2' ' A' ' 117' ' ' LYS . 76.2 mt-30 -85.99 -11.49 52.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.283 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 107' ' ' CYS . 54.6 mt -49.33 92.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.401 . . . . 0.0 111.002 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -113.82 84.43 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.732 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.0 p -91.78 122.66 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.531 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 37.5 m-70 -128.65 78.61 1.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.394 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.14 120.97 24.12 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.944 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.353 -179.597 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.791 0.329 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -34.69 64.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.75 77.86 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.49 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.04 168.09 20.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.1 t60 61.39 154.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -88.85 -68.12 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.61 -59.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -166.11 131.25 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -169.25 164.65 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -75.95 -35.31 59.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.39 -69.68 0.14 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -172.15 146.0 1.64 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.18 -43.51 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.581 2.188 . . . . 0.0 112.38 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.615 ' HA ' HD11 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -72.53 -20.94 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.192 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.8 m -86.17 -28.61 23.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.097 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.98 50.98 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.224 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.615 HD11 ' HA ' ' A' ' 14' ' ' MET . 39.6 mt -90.59 141.98 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.05 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.57 101.48 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.816 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -111.4 80.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 59.45 174.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 58.59 84.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.1 m -73.67 -70.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.3 t80 57.57 103.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.461 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -57.38 109.55 1.83 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.12 -24.96 27.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.437 2.091 . . . . 0.0 112.185 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -113.07 45.47 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 24' ' ' ASP . . . -163.88 93.85 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -133.53 -47.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.6 126.58 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m 59.55 93.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -81.32 75.92 8.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.29 85.29 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.541 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.6 t0 58.26 29.66 18.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.67 84.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -88.45 134.69 33.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 mp 62.59 148.81 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.08 -36.27 4.45 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.593 2.196 . . . . 0.0 112.316 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.2 136.79 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.48 27.18 0.42 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.587 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -153.08 24.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.731 0.301 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 5.6 mt-10 52.4 22.83 2.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.561 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t70 44.07 67.33 0.69 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.836 0.35 . . . . 0.0 111.427 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.4 m-30 -70.99 173.6 7.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.938 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 61' ' ' GLN . 22.3 mm -111.92 99.18 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.183 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.37 118.87 12.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.194 -178.806 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.564 HD12 ' CG2' ' A' ' 106' ' ' ILE . 37.9 mm -79.81 -96.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.315 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 82.88 127.17 0.04 OUTLIER 'General case' 0 C--N 1.342 0.276 0 CA-C-O 121.227 0.537 . . . . 0.0 112.128 178.837 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.552 ' CG2' HG22 ' A' ' 56' ' ' THR . 44.0 mt -102.62 157.11 4.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.378 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -132.59 79.87 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.083 0.468 . . . . 0.0 110.472 179.214 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.654 ' CG ' HG23 ' A' ' 56' ' ' THR . 2.4 tt0 -89.65 98.43 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.307 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.4 126.39 30.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.423 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t30 62.95 22.62 13.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.819 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.93 34.59 90.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.685 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' THR . 77.3 mtt180 -150.65 -58.13 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.699 0.285 . . . . 0.0 111.246 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 73.85 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.441 . . . . 0.0 110.714 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.654 HG23 ' CG ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -79.65 129.02 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.189 -179.715 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.823 HD23 ' CD ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -140.54 88.11 2.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.602 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 55.4 m -63.14 125.28 23.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.35 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.769 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -108.08 158.18 17.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.944 0.402 . . . . 0.0 111.157 179.499 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.502 ' CG2' HG12 ' A' ' 106' ' ' ILE . 17.5 t -125.32 123.02 64.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.115 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.563 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -118.67 149.14 41.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.778 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.32 -29.82 11.27 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.107 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.817 HG23 ' CD2' ' A' ' 67' ' ' TYR . 5.6 mm -59.93 144.45 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.0 0.429 . . . . 0.0 111.187 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -84.54 133.57 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.225 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.7 -17.39 62.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.02 -10.93 59.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.207 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.817 ' CD2' HG23 ' A' ' 63' ' ' ILE . 6.3 m-30 -53.31 -177.09 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.834 0.349 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -54.71 -30.24 55.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.15 -76.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 1.3 mptp? -56.77 -69.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.574 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -21.55 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.703 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.5 tt -54.86 -67.14 0.29 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.469 ' HB ' HD12 ' A' ' 96' ' ' ILE . 5.4 p -89.45 -30.65 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.481 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -59.4 -41.65 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.563 179.685 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.15 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.783 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.654 ' CD2' HD22 ' A' ' 98' ' ' LEU . 7.5 t80 -57.73 -44.77 86.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.549 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 15.4 mttt -69.2 -12.34 61.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.238 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -98.85 -19.26 17.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.695 0.283 . . . . 0.0 111.22 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 47.0 tttp -101.11 -37.49 8.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.739 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 6.2 m-85 -114.45 -14.21 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.716 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 66.5 32.38 7.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.013 0.435 . . . . 0.0 110.823 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 72.7 m -101.51 -177.06 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.728 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.05 114.96 28.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -115.02 135.81 12.64 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.695 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.7 p -131.66 131.37 43.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.804 0.335 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.1 p -86.08 64.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.971 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 pt -67.65 152.36 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.281 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -101.84 73.15 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.368 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.485 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.8 t-80 -54.31 134.3 61.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.295 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -77.33 -16.62 15.26 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.517 2.145 . . . . 0.0 112.196 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -82.64 -23.31 34.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.972 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.482 ' HD2' HG21 ' A' ' 95' ' ' VAL . 1.6 m-85 -123.93 -52.15 1.78 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.035 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.73 101.99 2.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 62.54 81.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.482 HG21 ' HD2' ' A' ' 92' ' ' TYR . 9.7 m -133.17 141.88 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.3 mm -81.23 135.32 25.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.823 ' CD ' HD23 ' A' ' 57' ' ' LEU . 5.9 tt0 -125.09 117.08 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.13 0.491 . . . . 0.0 111.696 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.093 HD11 HD13 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -98.51 158.05 15.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.359 179.199 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.68 140.03 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.212 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.18 178.3 52.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.58 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -81.21 83.26 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.508 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.533 ' O ' HG22 ' A' ' 106' ' ' ILE . 2.0 mp0 -94.92 10.96 33.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.197 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.4 ptt85 -49.01 -25.78 2.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.833 0.349 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -102.42 -21.51 14.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.296 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -89.44 -41.61 11.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.711 0.291 . . . . 0.0 111.26 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 1.093 HD13 HD11 ' A' ' 98' ' ' LEU . 7.2 tp -60.6 -50.01 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.292 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.87 ' HB2' HD22 ' A' ' 121' ' ' LEU . 20.8 p -57.93 -35.12 70.65 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -33.34 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.502 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.824 ' CE2' HD13 ' A' ' 113' ' ' ILE . 75.0 t80 -72.97 -43.85 61.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.589 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.716 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 3.1 mp -58.51 -29.58 66.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 107' ' ' CYS . 48.7 t -92.95 -26.84 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.2 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.76 -33.08 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.033 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.895 HD11 HD22 ' A' ' 115' ' ' LEU . 9.8 pt -97.67 -24.48 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.436 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.91 27.77 9.27 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.838 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.895 HD22 HD11 ' A' ' 113' ' ' ILE . 4.6 tp -78.3 -71.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.765 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.716 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -94.35 163.3 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.609 ' HB2' HE21 ' A' ' 120' ' ' GLN . 0.0 OUTLIER -89.83 150.8 22.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.548 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -58.09 -27.51 63.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.962 0.411 . . . . 0.0 110.409 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -83.18 -24.51 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.343 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.609 HE21 ' HB2' ' A' ' 117' ' ' LYS . 74.5 mt-30 -81.94 -14.13 56.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.247 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.87 HD22 ' HB2' ' A' ' 107' ' ' CYS . 60.2 mt -49.67 91.07 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 111.078 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 120' ' ' GLN . 5.7 mmtt -110.08 84.25 1.89 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.78 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.4 p -92.53 116.81 34.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.373 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 27.6 m-70 -122.96 83.46 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.225 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -56.18 119.54 15.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.22 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.265 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.1 mtp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.771 0.319 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -123.78 115.04 20.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.62 -172.53 0.82 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -158.71 118.55 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -139.51 109.29 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -177.84 90.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.61 122.79 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -93.02 80.66 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -147.36 32.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -163.43 -55.75 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.8 m 62.88 -81.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 174.53 131.77 0.13 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.701 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.72 -28.08 45.57 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.371 2.048 . . . . 0.0 112.23 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.462 ' HA ' HD11 ' A' ' 17' ' ' ILE . 46.7 mtm -61.63 -27.3 68.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.2 m -72.26 -37.93 68.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.5 76.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 18' ' ' GLN . 18.8 mt -103.29 160.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.486 ' N ' HG22 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -56.06 121.71 10.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -109.42 43.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.8 mt -70.6 149.74 46.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -112.92 -173.66 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.1 t 66.55 112.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -156.95 64.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.566 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 8.9 m-20 -110.93 142.93 27.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -31.22 74.89 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.503 2.135 . . . . 0.0 112.313 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -110.09 40.95 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 24' ' ' ASP . . . -172.38 91.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -150.54 -65.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.19 177.11 4.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -159.15 -75.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 38.28 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.6 91.28 1.58 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.452 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -118.86 31.73 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.326 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.03 -33.47 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.84 75.73 1.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.771 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.9 mt -57.71 151.21 43.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.19 108.0 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.497 2.131 . . . . 0.0 112.393 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -121.91 65.08 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.43 -63.36 4.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.422 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 19.0 p -127.11 9.18 6.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.615 0.245 . . . . 0.0 111.273 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 5.6 mt-10 52.61 23.8 2.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.735 0.302 . . . . 0.0 111.445 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 t0 45.58 71.33 0.29 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.345 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.485 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 18.7 m-30 -78.68 170.8 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.477 HG12 ' HB3' ' A' ' 120' ' ' GLN . 32.5 mm -106.75 99.26 8.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.994 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -72.61 115.67 12.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.173 -178.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.706 HD12 HG21 ' A' ' 106' ' ' ILE . 34.3 mm -74.17 -94.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.573 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 7.0 tpt180 85.47 130.21 0.04 OUTLIER 'General case' 0 C--N 1.344 0.364 0 CA-C-O 121.159 0.504 . . . . 0.0 112.003 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.792 HG23 HG22 ' A' ' 56' ' ' THR . 3.8 mt -114.03 156.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.389 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 6.3 pt20 -139.96 101.73 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.991 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.6 OUTLIER -102.62 111.38 23.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.666 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -80.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.314 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.48 43.67 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.691 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.95 19.82 59.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.878 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -145.04 -44.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -71.27 65.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.44 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.792 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -75.26 144.22 42.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.953 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 98' ' ' LEU . 1.9 mt -145.47 90.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 m -65.69 122.55 17.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -105.14 161.32 14.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.36 . . . . 0.0 110.978 179.61 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.613 HG12 HG12 ' A' ' 63' ' ' ILE . 18.8 t -128.01 119.69 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.465 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.554 ' CG ' HG11 ' A' ' 95' ' ' VAL . 19.9 mt-30 -114.01 143.42 44.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.606 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.93 -34.66 5.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.605 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.803 HG23 ' CD2' ' A' ' 67' ' ' TYR . 8.5 mm -52.74 142.44 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.016 0.436 . . . . 0.0 111.405 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.572 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -81.23 138.37 35.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.375 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.62 -16.83 64.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.895 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.91 -24.61 62.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.803 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.6 m-30 -48.33 159.18 0.22 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.221 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.13 80.33 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.172 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -37.48 -43.04 0.56 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.731 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 12.6 mttt -62.15 -68.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.719 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -62.2 -15.7 48.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.594 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.724 ' HG ' HD21 ' A' ' 115' ' ' LEU . 1.8 tt -67.88 -70.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.58 0.228 . . . . 0.0 111.501 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG21 ' C ' ' A' ' 84' ' ' GLY . 8.8 p -84.43 -45.85 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.493 ' N ' HG13 ' A' ' 73' ' ' VAL . 8.6 mmtm -48.57 -41.74 31.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.64 -31.65 72.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.556 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CD2' HD22 ' A' ' 98' ' ' LEU . 9.6 t80 -60.2 -43.93 95.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.557 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -9.15 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.245 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 -20.96 13.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.668 0.271 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -95.12 -39.19 10.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.51 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.532 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 4.9 m-85 -113.89 -18.47 11.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.649 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.32 33.32 0.9 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.923 0.392 . . . . 0.0 110.93 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 66.3 m -105.5 -179.32 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.59 117.98 35.47 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.53 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -121.83 134.33 9.86 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.654 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 p -123.73 168.11 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.001 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.1 p -120.22 71.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.593 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.9 pt -79.05 149.6 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.535 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -104.01 75.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.173 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -51.24 129.14 31.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.332 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.5 -13.44 22.63 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.433 2.089 . . . . 0.0 112.29 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.6 OUTLIER -86.1 -24.45 26.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -126.0 -54.96 1.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.89 -113.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -100.09 90.81 4.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.732 0.301 . . . . 0.0 110.757 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.554 HG11 ' CG ' ' A' ' 61' ' ' GLN . 20.3 m -118.72 136.59 55.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.284 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -74.2 151.18 7.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.859 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.593 ' OE1' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -124.66 101.8 7.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.762 0.315 . . . . 0.0 111.52 -179.048 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.863 ' O ' HD23 ' A' ' 57' ' ' LEU . 8.8 mt -91.53 155.97 18.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.329 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.01 142.54 27.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.885 0.374 . . . . 0.0 111.103 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.75 179.13 51.18 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.572 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.423 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 23.7 p-10 -83.47 78.43 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.034 0.445 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.6 mp0 -91.34 13.92 16.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.141 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -47.32 -28.92 2.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.927 0.394 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -101.52 -21.86 14.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.031 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -84.12 -37.25 22.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.061 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.837 HD13 HD11 ' A' ' 98' ' ' LEU . 4.8 tp -66.53 -52.23 48.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.053 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.63 ' HB3' HD22 ' A' ' 121' ' ' LEU . 59.5 m -55.74 -33.56 64.37 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.29 -35.24 66.1 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.418 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.782 ' CE2' HD13 ' A' ' 113' ' ' ILE . 74.2 t80 -72.05 -45.64 60.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.474 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 2.8 mp -57.24 -30.33 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.707 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 107' ' ' CYS . 49.0 t -91.73 -31.33 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.201 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.96 -29.78 66.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.782 HD13 ' CE2' ' A' ' 109' ' ' PHE . 7.7 pt -103.96 -25.24 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.445 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.64 31.95 7.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.766 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 113' ' ' ILE . 6.0 tp -76.88 -70.47 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.983 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -89.24 -169.18 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.704 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 144.9 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.421 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -54.91 -31.61 60.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.924 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.7 p30 -80.71 -19.85 44.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.485 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 74.8 mt-30 -89.32 -10.98 44.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 107' ' ' CYS . 40.9 mt -49.03 92.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.162 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -114.78 84.52 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 123' ' ' VAL . 13.1 p -94.88 124.3 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.341 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 16.6 m-70 -130.2 85.41 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.393 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.62 121.93 21.22 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.176 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.422 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.8 0.333 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -161.97 70.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.746 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.38 105.0 1.47 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.429 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.5 p -119.94 -52.01 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.042 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.03 -32.56 24.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -147.72 146.31 29.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -81.16 -68.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -150.27 138.22 20.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -107.73 109.89 21.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 t60 62.77 146.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.29 39.86 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -174.61 64.73 0.26 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.12 -29.19 27.32 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.545 2.163 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.576 ' HA ' HD11 ' A' ' 17' ' ' ILE . 5.2 mmt -63.36 -29.39 70.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m -69.57 -31.25 69.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.48 80.29 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 14' ' ' MET . 19.9 mt -109.67 80.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -116.68 -170.48 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -125.13 80.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.0 tp -73.74 114.93 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -118.96 160.37 22.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 m 61.7 115.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.98 138.38 31.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . 1.9 t0 61.41 67.5 1.36 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.89 -27.36 84.75 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.718 2.279 . . . . 0.0 112.252 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -113.9 46.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . . . -80.95 72.12 7.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.4 p30 -177.01 94.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.4 178.28 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.99 -169.21 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -60.28 163.06 5.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.93 74.22 1.4 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -153.98 80.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.02 -45.12 86.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.39 107.97 2.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 mp -92.51 164.58 22.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.04 80.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 56.42 67.6 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.306 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.79 -62.05 1.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.288 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.427 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -102.13 -24.61 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.713 0.292 . . . . 0.0 110.852 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -49.37 -27.1 3.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.216 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -62.88 80.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.708 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 41' ' ' GLU . 9.3 m-85 -91.63 176.56 6.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.431 HG12 ' HB3' ' A' ' 120' ' ' GLN . 24.8 mm -111.74 97.84 6.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.493 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.451 ' CE1' ' NE2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.53 130.08 41.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.929 -179.24 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.727 HD12 ' CG2' ' A' ' 106' ' ' ILE . 18.2 mm -88.91 -97.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.218 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.59 124.63 0.03 OUTLIER 'General case' 0 C--N 1.345 0.387 0 CA-C-O 121.149 0.5 . . . . 0.0 111.933 178.795 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.726 HG23 HG22 ' A' ' 56' ' ' THR . 0.4 OUTLIER -103.35 154.66 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.406 179.295 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 7.0 pt20 -139.85 104.04 4.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 111.053 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -105.63 119.74 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.593 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -67.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.393 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -92.63 38.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.224 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.46 22.53 38.77 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.372 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -156.35 -45.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.53 66.39 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 0.0 110.357 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.726 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -71.87 158.03 36.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.086 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 98' ' ' LEU . 2.2 mt -149.56 80.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.448 ' HG1' ' H ' ' A' ' 102' ' ' GLN . 76.0 m -58.88 120.65 9.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.407 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -105.15 161.97 13.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.917 0.389 . . . . 0.0 110.81 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.629 HG12 HG12 ' A' ' 63' ' ' ILE . 29.1 t -130.88 110.5 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.057 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.834 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -103.33 140.45 37.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.478 179.682 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.2 -26.47 10.37 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.063 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.796 HG23 ' CE2' ' A' ' 67' ' ' TYR . 12.7 mm -65.47 146.42 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.943 0.401 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.525 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -86.07 132.9 33.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.382 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.28 -19.24 61.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.741 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -23.54 66.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.746 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.796 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.8 m-30 -49.91 158.0 0.55 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -73.2 78.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.45 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -41.18 -38.05 1.02 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.311 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -61.74 -55.96 24.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.544 179.587 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -84.29 4.83 29.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.532 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.61 ' HG ' HD21 ' A' ' 115' ' ' LEU . 1.8 tt -85.38 -58.67 2.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.765 0.316 . . . . 0.0 110.788 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.909 HG13 HD12 ' A' ' 96' ' ' ILE . 2.0 m -89.62 -40.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.332 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 5.4 ttpt -52.77 -40.84 63.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.009 0.433 . . . . 0.0 110.33 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.45 -31.55 72.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.515 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 7.7 t80 -65.27 -57.08 9.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -54.93 -22.24 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.488 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.37 -19.99 21.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 111.408 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -101.06 -30.42 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.827 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.524 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 28.2 m-85 -117.64 -15.27 10.18 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.47 24.36 2.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.3 m -102.35 -162.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.294 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.56 115.74 23.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.92 0.39 . . . . 0.0 110.153 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.414 ' HA2' HD12 ' A' ' 98' ' ' LEU . . . -106.34 120.31 6.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.365 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.45 ' O ' HD13 ' A' ' 96' ' ' ILE . 24.4 p -121.95 153.68 38.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.844 0.354 . . . . 0.0 111.285 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.6 ' HA ' HD13 ' A' ' 96' ' ' ILE . 11.0 p -107.39 124.07 63.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.604 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.462 HD13 ' NE2' ' A' ' 97' ' ' GLN . 17.2 pt -135.93 157.02 38.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.05 0.452 . . . . 0.0 111.595 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -111.23 74.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.198 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -56.45 142.79 68.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.359 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 86.3 Cg_endo -82.52 -26.08 2.8 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.735 2.29 . . . . 0.0 112.248 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 2.8 mm-40 -80.56 -24.2 39.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.425 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -117.55 -49.77 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.059 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.75 99.62 1.82 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.565 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.03 93.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.713 0.292 . . . . 0.0 111.076 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.834 HG12 ' HA ' ' A' ' 61' ' ' GLN . 35.9 m -143.66 145.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.909 HD12 HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -87.6 125.47 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.147 179.679 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.578 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -98.11 111.46 23.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.695 -179.122 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.832 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.5 mp -93.78 167.42 11.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.561 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 138.71 41.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 0.0 110.945 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.62 173.78 18.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.256 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.559 ' HA ' HD11 ' A' ' 48' ' ' ILE . 5.0 p-10 -69.42 98.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.009 0.433 . . . . 0.0 110.67 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.448 ' H ' ' HG1' ' A' ' 58' ' ' THR . 1.2 mp0 -116.05 2.49 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.407 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.533 ' HA ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -46.16 -27.86 1.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.732 0.301 . . . . 0.0 111.561 -179.512 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -95.39 -23.79 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.347 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.421 ' HB3' ' CE2' ' A' ' 80' ' ' PHE . 60.5 m-80 -91.99 -32.37 15.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.681 0.276 . . . . 0.0 111.304 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.742 HD13 ' CD2' ' A' ' 98' ' ' LEU . 8.8 tp -65.22 -47.99 85.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.186 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.794 ' HB2' HD22 ' A' ' 121' ' ' LEU . 6.3 p -53.48 -35.03 60.12 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.422 0.63 . . . . 0.0 109.453 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -44.9 76.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.064 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.899 ' CE2' HD13 ' A' ' 113' ' ' ILE . 70.7 t80 -63.04 -49.46 74.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.286 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.749 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.9 mp -54.61 -30.52 54.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.1 t -95.6 -24.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.045 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -75.42 -39.38 59.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.899 HD13 ' CE2' ' A' ' 109' ' ' PHE . 11.4 pt -92.23 -24.23 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 111.365 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.97 28.4 8.27 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.861 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.812 HD22 HD11 ' A' ' 113' ' ' ILE . 4.8 tp -76.87 -70.27 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.472 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.749 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.74 -165.27 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.418 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 145.38 48.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.505 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 4.1 p30 -55.27 -32.05 62.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.384 . . . . 0.0 110.66 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -79.4 -25.65 42.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.3 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB3' HG12 ' A' ' 44' ' ' ILE . 68.6 mt-30 -85.48 -8.63 58.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.217 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.794 HD22 ' HB2' ' A' ' 107' ' ' CYS . 47.9 mt -50.91 92.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.344 . . . . 0.0 111.116 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -115.1 82.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.467 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.3 p -94.23 123.33 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.304 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 22.1 m-70 -126.71 80.72 1.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.178 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.11 120.99 17.44 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.222 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.276 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.904 0.383 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.17 36.81 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.76 107.84 0.38 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.68 62.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -172.34 142.25 1.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -143.07 -47.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -163.71 -53.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.65 140.54 38.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.69 155.05 33.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.22 53.39 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.46 94.78 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.805 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.21 131.01 24.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.94 -33.36 71.96 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.468 2.112 . . . . 0.0 112.305 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.609 ' HA ' HD11 ' A' ' 17' ' ' ILE . 5.6 mtt -57.86 -26.87 62.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 p -73.57 -27.82 61.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.02 50.27 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.224 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 14' ' ' MET . 47.9 mt -120.18 107.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 61.56 33.3 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.95 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.82 29.22 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tp -139.12 32.77 2.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 26.7 t60 -125.73 20.79 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 p 54.59 -169.49 0.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.843 0.354 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.3 t80 59.61 100.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -176.92 157.68 1.39 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.0 -24.74 25.83 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.566 2.177 . . . . 0.0 112.293 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -111.6 45.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -174.89 75.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.054 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.64 175.43 11.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.93 164.16 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.59 -170.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -154.62 123.01 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.36 -141.24 23.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -176.34 96.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 t0 60.76 76.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 mp -79.34 119.09 21.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.98 153.96 82.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.64 -30.03 23.5 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.577 2.184 . . . . 0.0 112.288 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -137.51 72.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.84 24.2 6.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -111.4 -19.09 12.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.577 0.227 . . . . 0.0 111.21 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.52 12.56 7.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.501 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 4.9 t0 49.7 58.66 5.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.028 0.442 . . . . 0.0 111.051 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 40' ' ' THR . 20.3 m-30 -56.4 165.99 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.039 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.479 HD13 ' HA3' ' A' ' 62' ' ' GLY . 46.1 mm -114.64 92.08 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.624 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -63.73 134.2 54.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.903 -179.404 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.59 HD12 ' CG2' ' A' ' 106' ' ' ILE . 20.6 mm -93.35 -99.64 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.099 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.0 tpp180 85.42 119.45 0.04 OUTLIER 'General case' 0 C--N 1.344 0.356 0 CA-C-O 121.223 0.535 . . . . 0.0 111.957 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.809 HG23 HG22 ' A' ' 56' ' ' THR . 7.0 mt -99.65 155.02 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.38 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 5.5 pt20 -136.76 97.55 3.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.401 . . . . 0.0 111.251 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -103.99 106.79 17.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.388 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.809 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -93.69 23.76 4.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.742 0.306 . . . . 0.0 111.484 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.08 20.57 64.74 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.44 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -148.02 -40.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.62 0.248 . . . . 0.0 111.326 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -79.47 62.13 3.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.113 0.483 . . . . 0.0 110.203 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.809 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -66.17 153.94 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.258 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.569 HD13 ' OE1' ' A' ' 97' ' ' GLN . 3.1 mt -154.13 75.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.2 m -52.86 142.96 17.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -131.43 147.77 52.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.93 0.395 . . . . 0.0 111.025 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.611 HG12 HG12 ' A' ' 63' ' ' ILE . 49.9 t -120.26 114.31 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.06 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.887 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -106.53 143.48 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.453 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.479 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 112.33 -35.45 4.65 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.634 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.736 HG23 ' CD2' ' A' ' 67' ' ' TYR . 8.2 mm -46.62 151.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.375 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.48 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -86.59 146.06 26.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.867 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.46 -17.95 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.658 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -25.52 64.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.638 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.819 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.7 m-30 -52.97 -177.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.007 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.563 ' C ' HD22 ' A' ' 72' ' ' LEU . 5.7 m-20 -103.48 79.51 1.7 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.224 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.627 ' O ' HG22 ' A' ' 73' ' ' VAL . 1.6 mttm -41.12 -43.06 2.16 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -68.71 -58.73 3.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.881 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -32.28 67.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.404 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.819 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -60.93 -59.67 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.96 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.904 HG13 HD12 ' A' ' 96' ' ' ILE . 5.5 m -75.88 -28.8 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.328 . . . . 0.0 110.715 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -68.6 -52.16 34.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.907 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.63 99.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.165 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.8 ' CD2' HD22 ' A' ' 98' ' ' LEU . 13.4 t80 -46.7 -54.08 10.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.019 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 42.2 mtmt -58.47 -20.32 44.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -81.64 -18.73 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.985 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -103.82 -40.79 6.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.693 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -121.57 -11.75 8.63 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.19 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.91 39.72 10.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.408 . . . . 0.0 110.861 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.429 ' HG ' ' CD ' ' A' ' 102' ' ' GLN . 79.1 m -105.39 134.51 48.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.89 104.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.91 130.09 9.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.338 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.4 p -130.22 152.18 49.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 0.0 111.275 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.707 ' HA ' HD13 ' A' ' 96' ' ' ILE . 12.4 p -98.37 133.32 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.666 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.1 pt -147.72 140.83 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 111.436 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -97.8 72.77 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.638 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -54.73 129.41 64.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.35 -13.14 23.03 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.422 2.081 . . . . 0.0 112.442 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -86.31 -23.94 26.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.571 ' CD2' ' NE2' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -122.71 -55.37 1.82 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.805 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.66 98.01 2.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.6 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.42 93.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 111.132 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.887 HG12 ' HA ' ' A' ' 61' ' ' GLN . 34.0 m -140.03 144.1 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.904 HD12 HG13 ' A' ' 73' ' ' VAL . 1.5 mm -92.36 123.66 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.215 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.569 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -96.69 110.24 22.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.619 -179.099 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.848 HD11 HD13 ' A' ' 106' ' ' ILE . 13.6 mt -97.5 156.64 16.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.94 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -92.84 135.13 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.79 175.68 51.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.413 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -75.04 93.47 2.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.347 . . . . 0.0 110.669 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.429 ' CD ' ' HG ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -109.29 6.09 24.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.388 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.504 ' HA ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -48.74 -26.46 2.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.746 0.308 . . . . 0.0 111.216 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -99.6 -23.95 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.285 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -87.77 -43.21 12.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.138 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.848 HD13 HD11 ' A' ' 98' ' ' LEU . 4.2 tp -61.34 -49.84 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.761 ' HB2' HD22 ' A' ' 121' ' ' LEU . 26.4 p -56.77 -37.66 71.41 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.401 ' HG3' ' HG3' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -70.6 -33.37 70.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.52 178.625 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.917 ' CE2' HD13 ' A' ' 113' ' ' ILE . 84.9 t80 -72.86 -45.38 58.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.282 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.591 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.8 mp -54.75 -31.5 58.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.732 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.525 HG21 HD11 ' A' ' 121' ' ' LEU . 72.7 t -94.04 -29.96 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.401 ' HG3' ' HG3' ' A' ' 108' ' ' GLN . 3.5 mm-40 -68.79 -36.87 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.917 HD13 ' CE2' ' A' ' 109' ' ' PHE . 12.3 pt -97.02 -31.02 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.26 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.83 28.87 5.76 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.631 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.714 ' HB2' HD11 ' A' ' 113' ' ' ILE . 11.0 tp -74.05 -71.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.706 0.289 . . . . 0.0 110.664 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.13 -168.68 2.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.295 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 146.97 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.722 0.296 . . . . 0.0 110.274 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.41 -32.21 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.0 110.403 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -78.99 -22.43 45.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.174 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 42' ' ' ASP . 70.0 mt-30 -89.57 -7.68 54.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.345 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.761 HD22 ' HB2' ' A' ' 107' ' ' CYS . 45.5 mt -54.07 89.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.87 0.367 . . . . 0.0 111.022 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -111.31 84.59 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.443 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.2 p -94.59 123.81 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.356 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 32.4 m-70 -128.78 75.07 1.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.07 120.33 21.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.365 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.111 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.774 0.321 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -100.18 154.18 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -116.08 119.91 4.71 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.6 t -114.12 -39.4 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 95.91 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.26 97.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.34 88.92 2.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -115.53 150.94 35.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -173.55 119.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -117.92 99.3 6.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -131.62 121.43 24.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -133.37 82.25 53.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.12 -20.78 32.22 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.627 2.218 . . . . 0.0 112.468 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.445 ' O ' HD11 ' A' ' 17' ' ' ILE . 9.8 mtt -55.66 -21.98 20.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.344 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.88 21.69 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.252 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.84 38.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.852 0.358 . . . . 0.0 111.003 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 18' ' ' GLN . 2.1 mp -59.19 157.53 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.198 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' N ' HG22 ' A' ' 17' ' ' ILE . 1.7 pm0 -152.8 165.45 35.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -129.18 -51.84 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 tp 57.02 46.66 18.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.7 t60 63.5 111.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -94.75 175.5 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 t80 60.9 77.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.54 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 20.8 p30 -137.42 62.71 38.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 24' ' ' ASP . 45.9 Cg_exo -56.13 -34.14 92.13 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.501 2.134 . . . . 0.0 112.342 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.34 -64.11 1.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . . . 63.04 51.12 2.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -24.47 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.18 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.13 110.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.274 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.59 -41.34 7.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.78 105.34 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.84 -69.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.488 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -168.8 39.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.1 -68.58 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.58 124.82 36.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.51 151.51 87.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.57 -34.21 20.26 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.545 2.163 . . . . 0.0 112.261 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.49 120.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.728 ' O ' HG23 ' A' ' 40' ' ' THR . . . -122.35 20.71 7.87 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.571 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -171.46 -38.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.835 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 63.68 14.04 7.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.613 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 t70 47.75 60.45 3.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.96 0.409 . . . . 0.0 111.043 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.488 ' CE1' ' O ' ' A' ' 40' ' ' THR . 17.3 m-85 -61.19 173.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.035 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 61' ' ' GLN . 23.8 mm -110.26 96.58 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.182 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.524 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.6 117.47 11.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.933 -178.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.701 HD12 ' CG2' ' A' ' 106' ' ' ILE . 34.3 mm -79.35 -97.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.335 178.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.3 132.19 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 111.974 178.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.547 HG23 HG22 ' A' ' 56' ' ' THR . 1.3 mt -113.6 156.02 14.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.298 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 3.6 pt20 -142.78 95.42 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.423 . . . . 0.0 111.109 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.546 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -99.7 97.15 8.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.617 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -55.25 -33.39 63.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -131.75 -151.38 0.46 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.848 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.57 29.94 6.41 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.343 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 56' ' ' THR . 9.8 ptp180 -178.08 -32.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.479 0.18 . . . . 0.0 111.456 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.84 70.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.937 0.399 . . . . 0.0 110.597 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.547 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -90.78 163.33 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.339 -179.462 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.539 HD22 ' OE1' ' A' ' 97' ' ' GLN . 5.6 mt -156.82 75.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.715 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.1 m -56.83 136.42 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.109 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -120.73 146.7 46.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.899 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.409 HG22 HG12 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -113.06 119.44 60.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.633 179.564 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -116.56 152.11 34.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.847 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.09 -34.89 5.27 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.085 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.924 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.5 mm -51.94 146.4 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 111.15 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.46 140.87 29.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.641 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -65.57 -19.59 65.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.697 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -70.4 -19.57 63.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.924 ' CD2' HG23 ' A' ' 63' ' ' ILE . 6.3 m-30 -51.91 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.509 ' C ' HD22 ' A' ' 72' ' ' LEU . 53.2 m-20 -92.61 76.86 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.202 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.63 -48.07 2.06 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.774 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 6.8 mtpm? -64.91 -46.67 80.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 10.98 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.048 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -105.78 -68.9 0.85 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 110.939 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.4 p -76.34 -39.54 34.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -65.46 -44.57 86.8 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.6 98.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.681 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.819 ' CD2' HD22 ' A' ' 98' ' ' LEU . 18.2 t80 -50.45 -39.01 46.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.747 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.7 mtpp -74.81 -6.67 50.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.472 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -104.84 -19.91 13.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.454 ' HD3' ' CE2' ' A' ' 80' ' ' PHE . 1.8 tttm -90.53 -46.43 8.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.324 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -115.36 -14.04 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.637 -179.587 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 69.06 43.26 1.14 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.996 0.427 . . . . 0.0 110.648 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.7 m -108.75 152.94 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.979 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.26 111.2 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.764 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.5 139.16 15.47 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.67 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.3 p -132.27 165.12 24.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.699 0.285 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.48 129.75 71.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -145.24 161.69 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.407 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -106.17 75.05 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.223 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.8 t-80 -54.44 138.57 59.36 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.497 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.12 -16.53 11.05 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -84.4 -22.48 30.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.4 m-85 -127.53 -54.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.043 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.78 100.76 2.65 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.739 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 63.57 87.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.439 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.525 HG11 ' HG3' ' A' ' 61' ' ' GLN . 17.4 m -141.31 140.08 32.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.785 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.675 ' O ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER -76.76 157.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.396 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.539 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -131.83 103.53 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.368 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.847 HD11 HD13 ' A' ' 106' ' ' ILE . 15.3 mt -91.49 156.72 17.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.897 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -93.24 135.54 34.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.884 0.373 . . . . 0.0 111.186 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.85 166.6 33.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -65.49 94.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.21 5.54 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.529 ' HA ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -47.41 -29.74 2.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.901 0.382 . . . . 0.0 111.138 -179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -25.52 17.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -85.15 -40.56 16.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.197 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.847 HD13 HD11 ' A' ' 98' ' ' LEU . 8.4 tp -61.64 -51.13 76.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.857 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.78 ' HB2' HD22 ' A' ' 121' ' ' LEU . 9.4 p -56.72 -35.0 68.05 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -33.19 68.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.572 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.888 ' CE2' HD13 ' A' ' 113' ' ' ILE . 68.0 t80 -73.89 -43.12 59.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.347 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 2.4 mp -58.02 -29.84 65.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.67 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 107' ' ' CYS . 48.9 t -93.83 -29.9 4.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.138 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.34 -36.72 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.888 HD13 ' CE2' ' A' ' 109' ' ' PHE . 6.7 pt -99.42 -23.17 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.4 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.8 32.19 8.18 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.409 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.67 ' HB2' HD11 ' A' ' 113' ' ' ILE . 8.4 tp -74.18 -69.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.075 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -94.42 -168.59 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.689 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.66 143.28 45.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.376 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.447 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.9 p-10 -53.28 -30.32 37.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.98 -26.3 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.248 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.463 ' HB3' HG12 ' A' ' 44' ' ' ILE . 76.1 mt-30 -83.8 -9.04 59.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.342 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 107' ' ' CYS . 51.8 mt -52.23 89.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.35 . . . . 0.0 111.178 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.418 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 3.1 mmtt -109.29 81.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.531 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 123' ' ' VAL . 13.2 p -91.97 117.54 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.488 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.524 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 31.2 m-70 -122.12 79.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.132 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.51 120.91 16.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.206 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.295 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.866 0.365 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 61.17 111.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.7 101.97 1.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.43 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.6 t -166.44 -74.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.35 -177.37 4.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -103.12 153.97 19.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -170.6 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -55.81 100.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -174.5 77.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.806 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.55 111.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.37 -56.62 10.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 59.92 95.36 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.18 -19.72 69.3 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.415 2.076 . . . . 0.0 112.312 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.49 ' HA ' HD11 ' A' ' 17' ' ' ILE . 3.3 mtm -57.16 -27.95 62.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.007 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -59.61 -35.76 74.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.72 87.65 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 14' ' ' MET . 33.7 mt -110.2 143.9 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -154.89 -178.63 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.7 m120 59.9 34.74 21.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.561 ' C ' HD13 ' A' ' 20' ' ' LEU . 3.4 tm? -152.78 -60.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HB2' HD13 ' A' ' 20' ' ' LEU . 1.4 t60 -133.91 67.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -156.16 124.43 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -103.06 123.13 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.464 ' CG ' ' HB3' ' A' ' 27' ' ' ALA . 5.4 p30 -50.25 103.7 0.38 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.51 -15.17 48.45 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.739 2.293 . . . . 0.0 112.626 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -104.49 25.29 10.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.102 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' HB3' ' CG ' ' A' ' 24' ' ' ASP . . . -153.66 -146.51 0.19 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.47 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.95 177.09 5.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -173.0 160.96 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t -67.15 145.86 54.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -160.01 107.92 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.91 -116.09 3.65 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.556 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.3 t70 59.95 105.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.7 35.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.5 mt -118.91 105.9 11.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mp -97.8 153.9 38.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.22 138.33 54.77 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.537 2.158 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -175.88 159.44 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.68 -27.55 2.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.42 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -121.35 32.36 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.741 0.305 . . . . 0.0 110.863 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.86 -32.4 60.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.88 70.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.427 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.428 ' HB2' ' HG3' ' A' ' 122' ' ' LYS . 5.8 m-85 -69.22 172.78 6.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.448 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.681 HG23 ' O ' ' A' ' 61' ' ' GLN . 24.5 mm -109.13 101.01 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.137 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -79.24 116.4 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.068 -178.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.696 HD12 HG21 ' A' ' 106' ' ' ILE . 38.5 mm -70.57 -92.74 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.992 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.556 ' HA ' ' O ' ' A' ' 124' ' ' HIS . 0.1 OUTLIER 89.06 118.65 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.06 0.457 . . . . 0.0 112.099 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.819 HG23 HG22 ' A' ' 56' ' ' THR . 12.6 mt -104.21 158.69 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.147 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.473 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.0 pt20 -143.01 94.43 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.96 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.509 ' CG ' HG23 ' A' ' 56' ' ' THR . 1.4 tt0 -101.5 104.69 15.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.482 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -78.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.501 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -96.51 38.03 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 111.152 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.63 22.74 68.26 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.226 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 30.6 ptt180 -148.92 -47.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 0.0 110.992 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -72.79 64.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 0.0 110.228 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.819 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -74.26 150.96 40.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.36 -179.339 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.733 HD13 ' NE2' ' A' ' 97' ' ' GLN . 6.4 mt -150.28 79.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.42 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 60.4 m -59.72 123.64 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.394 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -103.21 161.29 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.005 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.615 HG22 HG12 ' A' ' 106' ' ' ILE . 21.5 t -128.63 116.95 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.05 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.681 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -111.71 153.61 26.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.629 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.27 -42.57 1.93 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.457 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.942 HG23 ' CD2' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -48.08 145.45 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.015 0.436 . . . . 0.0 110.947 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.45 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -81.3 161.6 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.506 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -79.44 -14.09 59.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.168 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -94.45 26.81 3.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.942 ' CD2' HG23 ' A' ' 63' ' ' ILE . 3.8 m-30 -92.14 19.32 7.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.288 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.05 77.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.881 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.508 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -39.83 -33.17 0.18 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.34 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -65.59 -51.13 62.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.588 179.556 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 25.01 2.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.416 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 115' ' ' LEU . 1.7 tt -115.77 -50.44 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.346 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.888 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -94.46 -36.39 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.405 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -56.98 -41.06 77.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.998 0.427 . . . . 0.0 110.26 179.533 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.648 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.05 -28.4 69.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.402 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.618 ' CD2' HD22 ' A' ' 98' ' ' LEU . 6.5 t80 -64.49 -49.54 70.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.487 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 9.1 mtmt -63.34 -17.27 62.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -20.46 22.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.107 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -98.58 -47.99 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.588 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.51 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -115.15 -18.58 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.76 -179.379 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 72.99 41.63 0.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.992 0.425 . . . . 0.0 110.842 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.54 147.03 32.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.23 104.21 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.69 107.28 3.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.529 ' O ' HD13 ' A' ' 96' ' ' ILE . 68.0 p -107.33 162.24 14.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 111.069 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.4 p -114.05 68.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.844 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.678 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.5 pt -74.38 156.46 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.029 0.442 . . . . 0.0 111.63 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -109.62 73.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.14 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -54.47 134.13 62.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.322 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.85 -16.39 14.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.545 2.163 . . . . 0.0 112.36 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.481 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -84.32 -23.96 30.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.434 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.3 m-85 -122.21 -53.33 1.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.71 99.14 2.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.574 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.03 94.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 111.291 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 89' ' ' HIS . 17.7 m -143.77 145.37 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.65 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.888 HD12 ' CG1' ' A' ' 73' ' ' VAL . 2.8 mm -82.12 128.31 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.879 0.371 . . . . 0.0 110.577 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.733 ' NE2' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -104.69 110.14 22.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.71 -179.021 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.973 HD11 HD13 ' A' ' 106' ' ' ILE . 6.3 mt -95.67 157.67 15.79 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.54 139.2 30.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.874 0.368 . . . . 0.0 111.117 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.36 173.1 35.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -74.06 94.71 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.504 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.426 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -105.13 9.79 34.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.595 ' O ' HG21 ' A' ' 123' ' ' VAL . 3.4 ptt85 -47.33 -28.81 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.73 0.3 . . . . 0.0 111.212 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.26 -21.48 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.325 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -89.62 -39.54 13.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.184 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.973 HD13 HD11 ' A' ' 98' ' ' LEU . 7.8 tp -62.31 -51.82 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.96 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.681 ' HB2' HD22 ' A' ' 121' ' ' LEU . 6.0 p -56.92 -32.33 65.83 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -73.31 -33.66 65.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.657 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.905 ' CE2' HD13 ' A' ' 113' ' ' ILE . 77.3 t80 -74.42 -44.65 50.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.379 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.585 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.0 mp -58.04 -29.48 65.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 107' ' ' CYS . 46.7 t -92.64 -31.05 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.993 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.06 -41.62 77.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.905 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.1 pt -92.22 -19.88 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.431 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.38 30.36 14.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.563 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.75 HD22 HD11 ' A' ' 113' ' ' ILE . 7.4 tp -74.52 -67.43 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -96.85 176.94 5.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 146.82 28.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.581 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -54.61 -30.95 56.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.006 0.431 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -78.56 -23.1 46.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.365 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.477 ' HB3' HG12 ' A' ' 44' ' ' ILE . 75.3 mt-30 -87.32 -11.6 48.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.107 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 107' ' ' CYS . 39.5 mt -50.53 89.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.977 0.418 . . . . 0.0 111.389 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.428 ' HG3' ' HB2' ' A' ' 43' ' ' TYR . 11.7 mmtt -113.32 81.01 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.076 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.595 HG21 ' O ' ' A' ' 103' ' ' ARG . 12.0 p -94.22 128.86 45.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.163 -178.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.556 ' O ' ' HA ' ' A' ' 47' ' ' ARG . 1.7 m-70 -146.66 91.5 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.715 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 126' ' ' PHE . . . -45.95 -93.74 0.01 OUTLIER Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.56 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.425 ' CZ ' ' OE1' ' A' ' 50' ' ' GLN . 1.3 p90 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.857 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.815 0.341 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.66 143.72 31.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.0 -100.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.9 p -116.05 173.6 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.09 -49.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.51 105.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 0.2 OUTLIER -73.91 81.31 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.406 ' CG ' ' O ' ' A' ' 7' ' ' HIS . 3.8 m170 -169.73 34.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.9 11.08 17.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.371 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 53.95 57.84 5.61 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.951 0.405 . . . . 0.0 111.047 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.49 120.67 9.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 28.8 t70 -130.35 53.35 11.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 12' ' ' ASP . 73.3 Cg_endo -75.62 -3.95 14.58 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.663 2.242 . . . . 0.0 112.726 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.605 ' HA ' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -71.96 -9.43 58.35 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.5 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.22 39.59 1.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 111.079 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.25 39.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.022 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' A' ' 14' ' ' MET . 20.0 mt -90.28 156.51 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' N ' HG22 ' A' ' 17' ' ' ILE . 12.7 pt20 -140.47 134.62 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.61 64.61 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.3 tp 60.51 80.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -154.48 172.8 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.3 p -99.97 -176.68 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.5 147.73 47.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.904 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 3.8 m-20 -133.41 69.16 77.35 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 38.5 Cg_exo -60.32 -30.43 91.02 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.621 2.214 . . . . 0.0 112.236 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -128.72 52.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . . . -149.33 103.09 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -103.47 66.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.96 46.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -76.58 82.98 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 143.09 43.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.781 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.4 -136.74 6.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.555 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.01 61.4 6.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -159.81 112.96 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.823 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.06 165.88 6.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.75 146.54 94.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.99 116.88 3.45 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 112.365 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.0 130.57 41.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.83 45.05 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.544 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.431 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 1.8 p -109.36 -38.15 5.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 53.28 22.56 2.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.507 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 46.34 62.3 2.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.231 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.9 m-30 -67.6 174.54 3.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.774 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.445 HG12 ' HB3' ' A' ' 120' ' ' GLN . 19.3 mm -113.04 97.89 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.462 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -70.16 131.11 43.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.71 -179.287 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.785 HD12 HG21 ' A' ' 106' ' ' ILE . 31.0 mm -91.16 -99.27 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.41 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 7.1 tpt180 92.96 130.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.357 0.599 . . . . 0.0 112.457 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.782 HD11 ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -106.03 166.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.027 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.552 ' N ' HG23 ' A' ' 48' ' ' ILE . 6.6 pt20 -157.17 98.12 1.7 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.177 0.513 . . . . 0.0 111.061 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.2 tt0 -99.63 93.75 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.809 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -55.82 21.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -104.45 -150.95 0.43 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.722 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.4 37.19 3.43 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.213 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.1 OUTLIER 174.52 -29.3 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -65.05 68.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.996 0.427 . . . . 0.0 111.223 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.861 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -87.78 149.53 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.949 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.861 HD12 ' O ' ' A' ' 56' ' ' THR . 3.3 mp -144.78 86.34 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -62.92 122.78 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.303 . . . . 0.0 111.194 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -99.85 167.14 10.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.414 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.54 HG22 HG12 ' A' ' 106' ' ' ILE . 49.0 t -137.11 115.22 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.008 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.529 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -116.59 141.02 48.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.48 -30.33 7.32 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.127 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.879 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -60.77 145.79 12.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.95 0.405 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.785 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.84 148.5 31.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.15 -7.24 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.201 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -94.85 23.3 5.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.395 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.879 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.5 m-30 -89.06 22.35 2.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.424 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 70' ' ' LYS . 3.6 t70 78.76 -14.76 0.83 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.873 ' HE3' HG11 ' A' ' 86' ' ' VAL . 12.6 tttt 62.98 -76.39 0.03 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.795 0.331 . . . . 0.0 111.15 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -53.05 -58.97 5.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.208 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -53.45 -24.08 11.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.442 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.654 HD13 HG13 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -66.61 -57.98 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.219 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.874 ' CG1' HD12 ' A' ' 96' ' ' ILE . 2.3 m -87.45 -29.13 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.474 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -43.66 74.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.652 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -70.73 -30.95 67.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.458 ' CD1' HD22 ' A' ' 98' ' ' LEU . 6.3 t80 -64.07 -47.4 80.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.25 -13.77 59.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.361 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -100.59 -19.31 16.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.585 0.231 . . . . 0.0 111.298 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.436 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 5.7 tttm -98.08 -37.63 9.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.604 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.524 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 7.5 m-85 -114.45 -18.15 11.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.21 33.88 1.1 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 26.7 m -108.44 179.19 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.6 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.739 ' ND2' HG23 ' A' ' 85' ' ' THR . 0.0 OUTLIER -100.64 118.3 36.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.421 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.65 106.64 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.271 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.739 HG23 ' ND2' ' A' ' 83' ' ' ASN . 35.2 p -104.3 156.68 17.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.873 HG11 ' HE3' ' A' ' 69' ' ' LYS . 9.2 p -116.47 71.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -81.67 149.78 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.274 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -103.76 73.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.522 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -57.45 136.94 81.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.094 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.56 -20.62 10.65 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.555 2.17 . . . . 0.0 112.26 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -79.43 -24.18 42.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.461 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -120.09 -49.5 2.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.11 -179.686 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.24 96.7 2.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 62.06 91.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 61' ' ' GLN . 19.4 m -137.58 143.85 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.874 HD12 ' CG1' ' A' ' 73' ' ' VAL . 1.4 mm -83.4 127.71 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.363 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.413 ' OE1' HD23 ' A' ' 57' ' ' LEU . 1.9 mt-30 -102.32 106.22 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.368 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.98 HD11 HD13 ' A' ' 106' ' ' ILE . 8.6 mt -89.96 159.91 16.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.898 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -94.07 141.81 28.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.964 0.411 . . . . 0.0 111.374 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 73.64 -179.5 40.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.591 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.782 ' HA ' HD11 ' A' ' 48' ' ' ILE . 30.9 p-10 -80.9 90.03 5.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.718 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.464 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -103.25 13.99 32.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.123 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.94 -27.3 3.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -103.06 -21.95 13.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.102 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -85.74 -37.25 19.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.98 HD13 HD11 ' A' ' 98' ' ' LEU . 6.8 tp -62.95 -52.45 59.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.979 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.788 ' HB3' HD22 ' A' ' 121' ' ' LEU . 71.0 m -58.04 -30.44 66.15 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -73.96 -32.81 63.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.575 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.919 ' CE2' HD13 ' A' ' 113' ' ' ILE . 76.0 t80 -75.83 -44.81 39.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.389 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.692 HD23 ' CB ' ' A' ' 116' ' ' ALA . 6.3 mp -57.07 -30.53 64.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.604 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 107' ' ' CYS . 60.1 t -90.84 -31.11 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.76 -42.01 74.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.919 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.2 pt -91.52 -19.97 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.403 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.03 33.99 11.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.561 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.891 HD22 HD11 ' A' ' 113' ' ' ILE . 6.1 tp -78.24 -70.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.0 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.692 ' CB ' HD23 ' A' ' 110' ' ' LEU . . . -92.41 -179.72 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.731 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.511 ' HB2' HE21 ' A' ' 120' ' ' GLN . 0.0 OUTLIER -101.81 154.81 18.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.549 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -29.03 70.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.99 0.424 . . . . 0.0 110.241 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -81.54 -29.13 33.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.169 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.511 HE21 ' HB2' ' A' ' 117' ' ' LYS . 75.1 mt-30 -78.73 -10.72 59.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.217 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.788 HD22 ' HB3' ' A' ' 107' ' ' CYS . 62.4 mt -51.85 88.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.979 0.418 . . . . 0.0 111.122 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.8 mmtt -111.12 89.16 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.54 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.6 p -94.26 125.66 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.866 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.523 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 20.8 m-70 -135.95 36.1 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.953 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.441 ' CA ' ' HB ' ' A' ' 48' ' ' ILE . . . -56.46 88.32 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.58 -0.736 . . . . 0.0 113.088 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.437 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.022 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ptt? . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.03 119.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.34 -62.5 0.27 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.1 t -145.58 173.78 11.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 110.829 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -77.03 -76.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.4 t60 60.36 85.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -125.39 104.41 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.714 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.6 m170 62.18 -83.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 46.72 75.32 0.12 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.86 0.362 . . . . 0.0 111.209 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.95 64.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -128.5 67.94 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -75.36 152.11 85.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.58 -36.27 59.59 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.525 2.15 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.1 mtp -74.41 -32.87 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 p -59.81 -31.07 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.71 74.99 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 mt -84.02 90.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -159.5 29.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.032 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 86.7 m-20 -83.96 -87.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 21.8 tp 176.58 -75.7 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -122.65 -177.88 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.025 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 t -59.62 109.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -60.74 144.8 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -115.93 146.72 37.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.12 -23.52 29.45 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.549 2.166 . . . . 0.0 112.342 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -109.35 27.72 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.06 80.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.07 -28.87 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.73 150.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.986 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 p 59.22 -167.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.902 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.02 115.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.824 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 126.27 -44.68 1.22 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.601 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -144.09 33.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.775 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -135.03 -61.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.49 109.67 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 36' ' ' LEU . 4.0 mm? -64.35 146.2 97.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.17 111.25 3.24 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.486 2.124 . . . . 0.0 112.293 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.83 118.97 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.7 -44.84 1.15 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.596 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.445 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -109.7 -14.79 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.575 0.226 . . . . 0.0 111.279 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 3.2 mm-40 60.26 17.76 7.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 0.0 111.303 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.6 t0 49.2 63.64 2.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.92 0.39 . . . . 0.0 111.117 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.45 ' O ' HD13 ' A' ' 44' ' ' ILE . 18.9 m-30 -69.43 172.57 6.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 43' ' ' TYR . 15.9 mm -116.06 96.53 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.047 0.451 . . . . 0.0 110.522 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.513 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -66.81 122.99 18.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.948 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.691 HD12 ' CG2' ' A' ' 106' ' ' ILE . 30.1 mm -84.18 -96.85 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.043 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.85 125.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.321 0.582 . . . . 0.0 112.429 178.713 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.899 HG23 HG22 ' A' ' 56' ' ' THR . 5.3 mt -109.71 154.96 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.813 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HG3' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -138.15 94.17 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.016 0.436 . . . . 0.0 111.242 179.508 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.646 ' CG ' HG23 ' A' ' 56' ' ' THR . 2.7 tt0 -102.61 125.58 49.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.595 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.68 128.25 36.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.256 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.0 t30 51.47 29.23 5.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.267 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.59 17.14 76.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.387 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -145.66 -175.85 4.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.597 0.237 . . . . 0.0 110.772 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt 40.67 78.26 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.867 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.899 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -86.86 151.81 23.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.132 -179.261 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 56' ' ' THR . 1.1 mp -146.09 88.37 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -66.73 123.44 20.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.812 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.525 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -104.64 158.97 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 0.0 111.229 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.486 HG22 HG12 ' A' ' 106' ' ' ILE . 66.4 t -126.83 113.91 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.0 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.578 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -118.05 140.78 49.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.347 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.74 -27.67 9.08 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.881 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.83 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.1 mm -64.49 147.74 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.982 0.42 . . . . 0.0 111.023 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.754 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -76.04 145.0 40.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.352 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.64 -9.06 58.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.257 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -94.16 23.09 5.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.297 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.83 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.4 m-30 -90.02 19.27 5.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.486 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 49.36 86.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.784 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.3 mptt -36.74 -38.8 0.18 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.529 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -61.35 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.088 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -79.65 59.17 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.258 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.639 HD21 HD21 ' A' ' 115' ' ' LEU . 1.8 tt -156.2 -66.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.24 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.639 ' HB ' HD12 ' A' ' 96' ' ' ILE . 13.6 p -89.28 -33.53 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.992 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -61.22 -41.41 96.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.073 0.463 . . . . 0.0 109.984 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.32 -29.2 70.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.585 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CE1' HD21 ' A' ' 98' ' ' LEU . 13.2 t80 -57.65 -54.46 46.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.663 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -63.87 -13.21 43.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.313 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -96.36 -19.31 19.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.654 0.264 . . . . 0.0 111.094 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -94.69 -46.1 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.715 -179.417 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 1.3 m-85 -109.83 -15.24 14.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.93 28.68 0.85 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 60.9 m -96.35 -170.72 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.63 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.4 OUTLIER -110.13 108.59 18.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.118 0.485 . . . . 0.0 110.827 179.82 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.51 ' HA2' HD12 ' A' ' 98' ' ' LEU . . . -105.17 135.37 12.53 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.378 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.625 ' O ' HD13 ' A' ' 96' ' ' ILE . 12.9 p -139.05 167.91 21.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 111.3 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.4 p -121.69 140.02 46.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.4 HD13 ' CD ' ' A' ' 97' ' ' GLN . 16.6 pt -150.37 145.4 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.354 . . . . 0.0 111.368 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 94' ' ' GLU . 20.4 tt0 -98.81 70.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.037 0.446 . . . . 0.0 110.549 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.443 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 3.1 t-80 -53.29 142.47 38.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.197 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 97.2 Cg_endo -80.49 -26.5 3.94 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.583 2.188 . . . . 0.0 112.444 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.3 -20.97 31.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.601 ' HD2' HG21 ' A' ' 95' ' ' VAL . 1.2 m-85 -116.12 -49.94 2.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.051 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.49 97.86 1.39 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.689 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 88' ' ' GLU . 2.9 tp10 61.58 84.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.291 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.601 HG21 ' HD2' ' A' ' 92' ' ' TYR . 16.4 m -136.35 141.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.85 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.639 HD12 ' HB ' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -79.6 141.23 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.124 179.803 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.726 ' CD ' HD23 ' A' ' 57' ' ' LEU . 1.7 tt0 -114.15 101.94 9.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.921 0.391 . . . . 0.0 111.734 -179.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.597 HD21 ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -81.94 170.12 15.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.837 178.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -108.98 138.28 45.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.319 . . . . 0.0 110.825 179.628 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 72.06 169.24 11.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.08 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -67.05 89.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.437 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -104.04 4.9 34.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.919 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.545 ' HB2' HG23 ' A' ' 123' ' ' VAL . 4.5 ptm180 -46.85 -27.9 1.39 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.847 0.356 . . . . 0.0 111.159 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -93.43 -25.67 17.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -88.81 -36.61 15.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.129 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.691 ' CG2' HD12 ' A' ' 46' ' ' ILE . 7.4 tp -62.36 -52.0 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.837 ' HB2' HD22 ' A' ' 121' ' ' LEU . 4.7 p -55.89 -36.1 67.27 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -33.17 70.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.546 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.879 ' CE2' HD13 ' A' ' 113' ' ' ILE . 75.5 t80 -71.8 -44.45 63.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.509 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.666 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.4 mp -58.09 -30.13 66.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.63 -27.14 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.85 -37.32 64.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.904 HD11 HD22 ' A' ' 115' ' ' LEU . 9.4 pt -95.48 -19.09 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.525 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.31 30.05 15.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.657 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.904 HD22 HD11 ' A' ' 113' ' ' ILE . 5.6 tp -77.97 -70.26 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.666 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -95.76 -167.3 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.57 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.676 ' HB2' HE21 ' A' ' 120' ' ' GLN . 0.0 OUTLIER -121.09 158.36 28.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.587 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.407 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.5 m-20 -63.55 -26.28 68.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.992 0.425 . . . . 0.0 110.413 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -81.81 -31.91 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.676 HE21 ' HB2' ' A' ' 117' ' ' LYS . 65.1 mt-30 -77.85 -11.9 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.228 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.837 HD22 ' HB2' ' A' ' 107' ' ' CYS . 79.2 mt -50.07 92.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.951 0.405 . . . . 0.0 111.133 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.412 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 2.1 mmtt -111.15 75.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.3 p -88.91 112.91 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.136 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.513 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 40.7 m-70 -114.07 -32.7 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.339 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.36 -113.87 5.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.051 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 2.0 p90 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.787 0.327 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.89 35.49 16.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.1 -151.86 27.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.425 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.87 -170.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -62.83 158.65 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -88.75 141.35 28.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.55 151.73 46.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.62 -173.7 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -110.43 58.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 -51.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 64.0 m -77.1 136.05 38.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -169.39 138.16 1.62 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.822 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.06 -43.25 60.0 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.36 2.04 . . . . 0.0 112.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 mmt -76.88 -27.58 55.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.84 -31.08 68.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.15 72.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.9 mt -80.23 100.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.11 110.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -58.8 -32.07 69.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 tp -98.16 161.59 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.91 85.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.798 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.22 91.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -84.27 168.59 15.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -140.23 102.35 6.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.18 -21.22 50.49 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.407 2.071 . . . . 0.0 112.255 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.1 -76.86 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.24 95.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -94.14 65.13 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.31 170.85 17.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t 63.77 130.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 60.95 57.35 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.68 -60.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -99.25 46.91 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.977 0.417 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 t70 61.01 52.56 4.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 89.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.64 141.6 96.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.06 -36.08 83.55 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.266 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.7 172.04 14.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.86 46.28 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.438 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -92.45 -36.38 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.019 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 52.83 21.83 2.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.641 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.466 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 0.4 OUTLIER 47.91 60.72 3.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.969 0.414 . . . . 0.0 111.162 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.47 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.9 m-30 -65.02 168.05 7.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -110.68 100.9 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.997 179.476 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.526 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -77.38 120.05 21.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.141 -178.787 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.728 HD12 ' CG2' ' A' ' 106' ' ' ILE . 34.4 mm -77.56 -97.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.197 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 83.48 126.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.218 0.532 . . . . 0.0 112.367 178.558 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.642 ' CG2' HG22 ' A' ' 56' ' ' THR . 40.9 mt -104.18 158.69 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.038 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.458 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.1 pt20 -136.01 87.53 2.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.915 0.388 . . . . 0.0 110.67 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HG3' HG23 ' A' ' 56' ' ' THR . 3.5 tt0 -92.83 106.9 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.328 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.85 123.44 27.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.087 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 t30 64.06 21.88 12.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.709 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.68 30.81 76.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.9 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 33.8 mmm-85 -144.57 -58.31 0.36 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.73 0.265 . . . . 0.0 111.487 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -65.73 71.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.945 0.403 . . . . 0.0 111.024 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.642 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -75.96 130.29 38.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.942 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.631 HD23 ' HG2' ' A' ' 97' ' ' GLN . 1.1 mp -139.57 96.24 3.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.594 HG21 ' N ' ' A' ' 103' ' ' ARG . 0.2 OUTLIER -71.67 117.58 13.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.021 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -103.01 147.37 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.406 . . . . 0.0 110.844 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 106' ' ' ILE . 1.7 t -113.25 113.82 45.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.591 ' HG3' HG11 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -114.21 141.36 47.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.596 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 44' ' ' ILE . . . 113.36 -21.43 17.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.751 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.9 HG23 ' CE2' ' A' ' 67' ' ' TYR . 3.0 mm -66.66 150.24 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.663 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -88.74 131.58 34.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.602 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.44 -20.5 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.53 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.89 -23.03 67.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.735 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.9 ' CE2' HG23 ' A' ' 63' ' ' ILE . 6.8 m-30 -51.65 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.985 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.64 65.58 2.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.163 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -32.69 -42.81 0.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.874 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -55.67 -55.37 32.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -81.74 -22.79 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.815 HD11 HD21 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -51.78 -66.64 0.35 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.089 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.651 HG22 ' HE2' ' A' ' 77' ' ' LYS . 7.7 p -79.0 -38.81 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.482 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 5.1 tttm -53.2 -45.23 68.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.833 0.349 . . . . 0.0 110.787 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.85 -30.07 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.626 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.722 ' CD2' HD22 ' A' ' 98' ' ' LEU . 10.5 t80 -63.91 -47.11 81.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.651 ' HE2' HG22 ' A' ' 73' ' ' VAL . 27.0 mtmt -67.9 -12.35 60.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.201 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -96.88 -18.42 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.959 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 5.4 tttm -99.44 -48.5 4.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.441 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 0.6 OUTLIER -110.51 -12.57 14.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.798 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.71 46.13 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 0.0 110.648 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.3 m -112.4 136.27 52.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.946 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.43 95.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.549 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -103.28 131.43 10.62 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.477 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.2 p -139.08 123.46 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 111.547 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.6 p -83.37 117.79 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.756 HD12 ' HB2' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -130.93 149.4 33.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.757 0.313 . . . . 0.0 111.185 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -86.13 79.92 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.039 0.447 . . . . 0.0 110.479 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.498 ' HB2' HG22 ' A' ' 95' ' ' VAL . 2.2 t-80 -57.53 141.08 79.33 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.314 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.63 -17.19 8.75 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.687 2.258 . . . . 0.0 112.505 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -83.15 -23.68 32.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.966 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.4 m-85 -129.57 -53.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.99 106.95 2.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.63 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 66.73 76.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 0.0 111.51 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.598 ' O ' HD13 ' A' ' 87' ' ' ILE . 35.5 m -138.6 140.52 39.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.434 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 59' ' ' THR . 0.8 OUTLIER -73.46 154.53 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.343 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.756 ' HB2' HD12 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -128.2 95.21 4.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.187 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.722 HD22 ' CD2' ' A' ' 76' ' ' PHE . 73.8 mt -85.68 158.16 20.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.405 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.42 141.16 30.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.83 -176.34 54.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.503 ' HA ' HD13 ' A' ' 48' ' ' ILE . 11.2 p-10 -85.17 80.14 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.038 0.447 . . . . 0.0 110.447 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.506 ' C ' HG21 ' A' ' 58' ' ' THR . 0.2 OUTLIER -98.24 13.13 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.172 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.594 ' N ' HG21 ' A' ' 58' ' ' THR . 0.0 OUTLIER -46.88 -36.71 7.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 110.967 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.5 -26.25 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.246 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.434 ' HB2' ' HG3' ' A' ' 102' ' ' GLN . 1.4 m-20 -70.28 -47.05 62.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.714 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.728 ' CG2' HD12 ' A' ' 46' ' ' ILE . 10.0 tp -61.83 -49.34 84.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.614 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.831 ' SG ' HD22 ' A' ' 121' ' ' LEU . 21.7 t -56.22 -32.96 64.91 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.412 ' HG3' ' HG3' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -74.69 -37.8 62.55 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.59 178.76 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.819 ' CE2' HD13 ' A' ' 113' ' ' ILE . 77.3 t80 -68.51 -50.49 51.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.33 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.644 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 3.3 mp -56.08 -28.94 59.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.632 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 107' ' ' CYS . 57.5 t -91.97 -30.88 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.939 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.412 ' HG3' ' HG3' ' A' ' 108' ' ' GLN . 3.8 mm-40 -70.83 -40.82 72.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.819 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.4 pt -93.18 -14.01 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.586 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.98 33.73 26.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.84 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.872 HD11 ' CD2' ' A' ' 67' ' ' TYR . 11.6 tp -79.98 -76.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.645 0.26 . . . . 0.0 111.163 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -74.54 -163.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.424 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 144.38 49.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.373 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.4 p-10 -55.43 -30.13 59.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -78.38 -21.31 49.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.152 0.501 . . . . 0.0 109.878 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.495 ' HB3' HD13 ' A' ' 44' ' ' ILE . 34.7 mt-30 -100.65 -9.5 21.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.315 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.831 HD22 ' SG ' ' A' ' 107' ' ' CYS . 31.0 mt -55.26 92.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 110.789 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -114.16 87.33 2.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.033 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.4 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 13.8 p -100.47 128.93 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.039 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.526 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 9.8 m-70 -134.66 87.11 2.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.784 0.326 . . . . 0.0 111.59 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.97 117.87 12.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.996 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.315 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.858 0.361 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.3 130.76 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.4 -38.86 2.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.427 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.3 p -107.69 109.39 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -146.57 36.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -87.03 -39.33 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -124.5 112.28 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.07 -36.15 35.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.9 95.48 9.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.975 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 63.12 125.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.98 91.3 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -150.37 64.2 6.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.0 -20.92 31.91 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.633 2.222 . . . . 0.0 112.372 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.1 mtt -96.58 31.39 2.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -109.71 32.56 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.56 31.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.074 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 18' ' ' GLN . 21.3 mt -100.23 159.72 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.289 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' N ' HG22 ' A' ' 17' ' ' ILE . 21.3 tt0 -70.48 99.36 1.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.802 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -109.42 95.03 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp 68.47 -69.55 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.79 135.77 33.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.7 -26.42 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.058 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 64.46 123.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.854 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.751 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . 68.7 m-20 60.5 94.27 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.11 -30.64 50.92 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.504 2.136 . . . . 0.0 112.152 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -126.41 -47.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.764 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.751 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . . . 61.42 115.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -100.42 -178.2 3.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.85 98.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.9 p -140.43 -54.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -62.65 -56.75 14.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.59 21.48 79.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.623 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -123.51 36.44 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.527 ' C ' HD22 ' A' ' 35' ' ' LEU . 37.1 t0 -84.74 56.88 4.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.527 HD22 ' C ' ' A' ' 34' ' ' ASP . 4.4 mm? -119.0 124.55 47.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.781 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -110.57 127.84 26.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 58.8 Cg_endo -72.0 -166.2 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.405 2.07 . . . . 0.0 112.262 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 37' ' ' PRO . . . 67.01 106.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.57 -140.06 4.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.565 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 p -155.08 104.56 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.374 . . . . 0.0 110.746 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 5.5 mt-10 -131.21 57.85 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 60.53 57.79 2.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.307 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.465 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.8 m-30 -89.04 171.41 9.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.022 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.61 HG13 ' HB2' ' A' ' 116' ' ' ALA . 24.2 mm -107.94 97.1 5.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.355 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -71.03 115.89 10.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.941 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.634 HD12 ' CG2' ' A' ' 106' ' ' ILE . 31.6 mm -74.24 -95.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.387 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 9.9 tpt180 85.74 120.87 0.04 OUTLIER 'General case' 0 C--N 1.344 0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 112.048 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.69 ' CG2' HG22 ' A' ' 56' ' ' THR . 11.4 mt -108.41 156.58 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.278 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.5 pt20 -134.81 100.33 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.606 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.513 ' HG3' HG23 ' A' ' 56' ' ' THR . 3.0 tt0 -100.75 115.37 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.276 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' HB2' ' CB ' ' A' ' 55' ' ' LYS . 4.1 mtp85 -100.46 137.33 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 59.54 21.4 9.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.894 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.12 46.91 92.26 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.63 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 13.7 ptm180 -175.12 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.691 0.282 . . . . 0.0 111.35 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -69.97 68.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.992 0.425 . . . . 0.0 110.76 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.742 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -79.92 138.83 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.99 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 56' ' ' THR . 1.4 mp -145.32 97.82 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.607 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.486 HG23 ' CG1' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -71.17 126.46 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.213 -179.659 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -108.64 155.34 20.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.892 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 106' ' ' ILE . 55.0 t -123.65 117.83 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.298 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.796 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -115.16 140.33 49.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.345 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.0 -40.88 2.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.948 HG23 ' CD2' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -48.52 148.02 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-O 120.786 0.326 . . . . 0.0 110.325 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.5 165.36 13.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.062 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.37 -28.2 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.262 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.93 -29.83 70.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.175 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.948 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.0 m-30 -52.77 117.87 3.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.49 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.83 ' O ' HD22 ' A' ' 72' ' ' LEU . 3.7 m-20 -49.29 97.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.36 . . . . 0.0 111.042 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HD2' HG11 ' A' ' 86' ' ' VAL . 12.2 ttpp -41.64 -56.59 2.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.622 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 22.2 mttp -59.26 -49.16 78.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.402 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.555 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 16.5 tptt -56.1 -16.72 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.57 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.935 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -99.12 -63.25 1.14 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.481 0.181 . . . . 0.0 111.312 -179.563 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 74' ' ' LYS . 8.5 p -78.36 -46.44 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.703 0.287 . . . . 0.0 111.224 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.463 ' N ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -61.69 -43.64 98.46 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.326 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -66.61 -39.16 88.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.075 178.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.797 ' CD2' HD22 ' A' ' 98' ' ' LEU . 18.1 t80 -50.64 -39.65 51.04 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -74.33 -6.61 49.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.32 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -104.31 -22.2 13.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.845 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.29 -43.37 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.373 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -116.86 -14.1 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.687 -179.422 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 69.45 37.86 1.91 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.6 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.7 t -107.1 157.91 17.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.931 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.99 125.36 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -133.63 146.33 18.27 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.64 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.448 ' O ' HD13 ' A' ' 96' ' ' ILE . 29.6 p -143.54 161.43 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.709 0.29 . . . . 0.0 110.852 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.609 ' O ' HG13 ' A' ' 86' ' ' VAL . 10.2 p -110.26 107.68 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -111.66 159.91 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 111.347 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -106.68 73.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.045 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -49.11 139.23 13.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.605 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.34 -20.0 11.4 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.56 2.173 . . . . 0.0 112.105 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.444 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -80.75 -23.62 39.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -119.67 -50.48 2.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 118.38 -17.17 11.45 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.331 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.3 105.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.918 0.359 . . . . 0.0 111.052 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.796 HG12 ' HA ' ' A' ' 61' ' ' GLN . 15.6 m -152.25 151.77 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.538 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -78.1 158.14 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.515 ' CD ' HD23 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -132.17 90.68 2.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.839 0.352 . . . . 0.0 111.484 -179.278 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 106' ' ' ILE . 13.7 mt -78.04 157.82 29.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.049 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.45 147.05 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 69.27 177.91 17.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.221 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.451 ' HA ' HD13 ' A' ' 48' ' ' ILE . 14.2 p-10 -79.23 95.05 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.406 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.5 mp0 -106.48 7.99 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.442 ' HB2' ' CG2' ' A' ' 123' ' ' VAL . 0.0 OUTLIER -48.54 -27.61 2.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 111.184 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -93.25 -24.46 18.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -92.42 -36.26 13.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.268 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 1.023 HD13 HD11 ' A' ' 98' ' ' LEU . 8.0 tp -63.73 -50.79 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.034 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.7 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -57.82 -35.15 70.46 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.432 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -31.31 64.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.495 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.88 ' CE2' HD13 ' A' ' 113' ' ' ILE . 76.6 t80 -71.18 -53.47 14.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.531 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.462 ' CD2' HG21 ' A' ' 44' ' ' ILE . 4.7 mp -55.63 -27.15 48.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.555 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 107' ' ' CYS . 60.5 t -90.13 -30.11 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.26 -52.76 12.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.819 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.88 HD13 ' CE2' ' A' ' 109' ' ' PHE . 11.7 pt -76.52 -13.99 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.61 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.84 30.19 29.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.584 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.775 HD22 HD11 ' A' ' 113' ' ' ILE . 8.3 tp -73.2 -66.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.417 . . . . 0.0 111.061 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.61 ' HB2' HG13 ' A' ' 44' ' ' ILE . . . -108.16 170.02 8.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.05 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.53 152.31 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -55.79 -28.36 55.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.701 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.47 -30.82 42.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.248 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 53.4 mt-30 -74.03 -15.45 61.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.112 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.631 HD22 ' SG ' ' A' ' 107' ' ' CYS . 79.8 mt -51.94 92.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.068 0.461 . . . . 0.0 111.201 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.411 ' HG3' ' HB2' ' A' ' 43' ' ' TYR . 5.1 mmtt -112.23 74.06 0.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.692 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.8 p -91.28 120.95 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.529 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 24.6 m-70 -120.66 -20.2 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.588 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.12 -110.57 1.36 Allowed Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.598 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.769 0.319 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -30.23 41.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.73 -126.26 1.8 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m -156.04 77.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.332 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.89 144.56 57.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -112.43 78.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -63.74 152.43 39.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.35 127.15 32.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -94.5 -177.9 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 60.9 76.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.62 -46.92 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -141.55 94.99 7.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -51.13 -27.09 21.1 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.499 2.132 . . . . 0.0 112.293 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.504 ' CE ' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -67.75 -29.68 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.9 p -60.92 -53.96 50.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.015 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.99 88.08 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.307 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.504 HD11 ' CE ' ' A' ' 14' ' ' MET . 28.0 mt -100.15 80.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.001 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -131.68 156.23 46.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -126.37 52.65 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.2 mm? 62.06 -80.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.19 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -155.3 158.56 38.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.27 -41.63 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -55.27 129.96 40.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.098 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.36 131.7 0.39 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.787 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.67 -28.92 58.9 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.371 2.047 . . . . 0.0 112.249 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -114.99 43.28 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -170.03 42.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.8 114.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -141.95 42.88 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -167.76 145.0 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.12 86.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.481 ' HA2' HD23 ' A' ' 35' ' ' LEU . . . -144.82 63.71 0.47 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.89 84.41 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 62.23 62.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.481 HD23 ' HA2' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -62.88 122.32 15.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.57 150.65 93.45 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.85 -28.72 19.65 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.576 2.184 . . . . 0.0 112.289 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.18 84.73 1.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.26 -57.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.447 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -97.47 -27.8 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.666 0.269 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 2.3 mm-40 61.01 15.71 6.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.522 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 46.51 62.94 2.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.925 0.393 . . . . 0.0 111.247 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 15.7 m-85 -65.33 175.88 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.0 mm -113.13 96.77 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.077 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.34 139.89 56.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.809 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.84 HD13 HG22 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -141.63 107.69 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.544 179.411 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' CG ' ' HB2' ' A' ' 124' ' ' HIS . 50.3 mtp180 -120.76 154.49 35.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.307 -178.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.717 HG23 HG22 ' A' ' 56' ' ' THR . 14.6 mt -109.28 156.63 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.442 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.438 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 7.7 pt20 -138.32 88.46 2.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.506 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.591 ' HG3' HG23 ' A' ' 56' ' ' THR . 2.5 tt0 -91.43 108.08 19.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.384 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -81.58 120.36 24.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.382 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 66.55 22.07 10.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.753 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.79 25.45 75.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.993 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -142.77 -66.07 0.39 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.843 0.322 . . . . 0.0 111.469 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -59.22 82.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.76 HG21 ' CG ' ' A' ' 101' ' ' ASP . 0.2 OUTLIER -87.68 138.96 31.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.191 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.683 HD23 ' CD ' ' A' ' 97' ' ' GLN . 1.1 mp -141.65 86.59 2.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.8 m -62.26 113.98 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.49 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -99.0 166.62 11.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.784 179.444 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.84 HG22 HD13 ' A' ' 46' ' ' ILE . 47.3 t -135.36 129.81 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.405 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -125.85 141.34 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.29 179.408 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.12 -24.01 13.29 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.952 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.932 HG23 ' CE2' ' A' ' 67' ' ' TYR . 2.9 mm -69.97 148.17 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 0.0 110.562 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.661 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -92.49 130.14 38.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.461 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -58.33 -21.95 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -61.51 -21.21 64.03 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.818 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.932 ' CE2' HG23 ' A' ' 63' ' ' ILE . 7.1 m-30 -52.05 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.731 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -51.55 -26.54 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.093 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 0.5 OUTLIER 61.29 -81.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.621 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.8 OUTLIER -56.86 -50.88 71.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 179.498 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.463 ' HD2' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -75.53 -22.05 57.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.802 179.528 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.924 HD21 HD21 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -54.07 -60.51 3.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.561 HG21 ' C ' ' A' ' 84' ' ' GLY . 12.0 p -85.57 -36.66 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.434 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -44.0 69.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 0.0 110.601 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.463 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . . . -61.71 -30.58 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.465 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.633 ' CZ ' HD13 ' A' ' 98' ' ' LEU . 8.9 t80 -61.96 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.635 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 21.0 mtmt -71.56 -8.97 57.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.248 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -101.54 -19.58 15.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.321 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -99.28 -46.75 5.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.242 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 1.1 m-85 -109.82 -12.84 14.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.553 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 61.56 46.46 7.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.01 0.433 . . . . 0.0 110.66 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 55.9 m -116.02 135.53 53.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.57 95.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.561 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -103.93 137.2 13.4 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.523 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.1 p -132.0 159.26 39.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.961 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 86' ' ' VAL . 8.3 p -115.06 83.14 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.4 pt -91.53 156.76 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 111.621 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -110.16 73.96 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.019 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -50.98 132.08 29.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.296 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.47 -15.06 19.93 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.445 2.097 . . . . 0.0 112.153 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.1 OUTLIER -84.69 -23.56 29.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -125.26 -53.15 1.61 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.002 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.75 -102.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.1 87.7 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.811 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 61' ' ' GLN . 26.8 m -117.62 135.81 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.314 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.2 mm -74.84 150.92 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.983 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.683 ' CD ' HD23 ' A' ' 57' ' ' LEU . 1.4 tt0 -124.03 107.24 11.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.926 0.393 . . . . 0.0 111.278 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.857 HD11 HD13 ' A' ' 106' ' ' ILE . 82.0 mt -94.18 158.16 15.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.056 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.95 132.45 41.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.63 174.59 50.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.248 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.76 ' CG ' HG21 ' A' ' 56' ' ' THR . 0.5 OUTLIER -78.57 76.07 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.995 0.426 . . . . 0.0 110.624 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.7 mp0 -88.38 9.03 24.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -28.93 1.21 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.871 0.367 . . . . 0.0 111.166 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -23.37 16.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 108' ' ' GLN . 26.6 m-80 -86.74 -35.31 19.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.734 0.302 . . . . 0.0 111.215 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.857 HD13 HD11 ' A' ' 98' ' ' LEU . 8.0 tp -65.68 -47.72 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.771 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.485 ' N ' HG23 ' A' ' 106' ' ' ILE . 7.4 m -55.81 -31.87 63.04 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 105' ' ' ASN . 36.1 mm-40 -69.0 -44.24 73.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.769 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.873 ' CE2' HD13 ' A' ' 113' ' ' ILE . 60.4 t80 -61.1 -55.96 26.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.25 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.8 mp -52.63 -29.23 25.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.038 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 107' ' ' CYS . 91.6 t -93.19 -26.92 4.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.207 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.97 -44.25 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.981 HD11 HD22 ' A' ' 115' ' ' LEU . 11.4 pt -87.59 -11.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.67 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.18 36.11 28.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.775 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.981 HD22 HD11 ' A' ' 113' ' ' ILE . 5.3 tp -84.19 -73.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.708 0.29 . . . . 0.0 111.14 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.717 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -83.83 -162.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.495 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.491 ' HB2' ' NE2' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -124.15 147.84 47.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.683 0.278 . . . . 0.0 110.449 179.447 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -58.92 -32.13 69.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.988 0.423 . . . . 0.0 110.393 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -80.4 -27.82 38.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.112 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.491 ' NE2' ' HB2' ' A' ' 117' ' ' LYS . 75.6 mt-30 -80.86 -7.75 59.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.163 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.45 HD22 ' SG ' ' A' ' 107' ' ' CYS . 62.6 mt -54.37 87.57 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.909 0.385 . . . . 0.0 110.988 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 120' ' ' GLN . 7.2 mmtt -106.33 76.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.98 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 123' ' ' VAL . 12.1 p -88.47 117.43 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 47' ' ' ARG . 67.1 m-70 -116.19 80.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -54.2 118.53 9.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.27 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.238 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mtm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.898 0.38 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -148.36 31.98 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.85 -12.33 43.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.726 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -56.91 -22.46 37.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.622 0.248 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -51.64 -28.59 14.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.762 0.315 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -126.57 69.66 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -100.4 92.93 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.767 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 62.27 73.56 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.3 m80 61.6 -178.54 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -121.08 162.04 20.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.23 115.71 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 80.28 67.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.79 -26.74 31.64 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.628 2.219 . . . . 0.0 112.445 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.669 ' HA ' HD11 ' A' ' 17' ' ' ILE . 41.6 mtt -77.01 -10.53 59.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.422 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 t -97.76 27.27 4.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.736 0.303 . . . . 0.0 111.074 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.01 66.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.946 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 14' ' ' MET . 50.2 mt -110.48 124.03 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -132.51 30.81 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.743 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -121.42 39.66 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 20' ' ' LEU . 9.6 mt -135.63 29.8 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -134.76 162.16 33.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 m -65.04 148.11 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -162.35 69.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.01 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -156.03 66.52 4.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.58 -24.23 70.04 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.617 2.211 . . . . 0.0 112.128 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -90.32 -32.14 16.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.77 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.67 95.72 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.1 t0 62.75 85.53 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.92 50.02 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.0 m -59.37 173.85 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -130.08 37.0 3.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.74 132.18 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -134.97 -57.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.62 30.8 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 35' ' ' LEU . 6.1 tp -91.02 85.55 5.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 146.57 93.15 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.01 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.571 2.181 . . . . 0.0 112.439 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.73 92.54 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.015 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.638 ' O ' HG23 ' A' ' 40' ' ' THR . . . -118.38 51.08 0.77 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.621 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 39' ' ' GLY . 4.9 p -163.84 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 110.987 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.72 13.79 7.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.517 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 0.9 OUTLIER 52.98 59.13 4.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.006 0.431 . . . . 0.0 110.869 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 40' ' ' THR . 21.6 m-30 -62.27 163.74 7.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.163 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 63' ' ' ILE . 43.4 mm -114.74 99.89 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.372 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -72.05 124.41 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.126 -178.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.794 HD12 HG21 ' A' ' 106' ' ' ILE . 22.3 mm -86.0 -97.24 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.869 178.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.96 137.58 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.399 0.619 . . . . 0.0 112.462 178.483 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.786 HG23 HG22 ' A' ' 56' ' ' THR . 5.7 mt -117.34 155.25 19.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.285 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 3.6 pt20 -140.55 98.11 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.067 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -97.05 105.42 17.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.611 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -59.49 -80.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.556 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -91.85 47.48 1.36 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.256 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.71 26.09 23.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.369 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.16 -39.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.677 0.275 . . . . 0.0 110.972 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 62.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.049 0.452 . . . . 0.0 110.331 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.786 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -69.4 139.71 54.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.827 -179.662 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.476 HD22 HE21 ' A' ' 97' ' ' GLN . 5.4 mt -142.99 91.5 2.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 64.9 m -64.51 140.9 58.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.001 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -119.76 157.48 28.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.017 0.437 . . . . 0.0 111.166 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.581 HG22 HG12 ' A' ' 106' ' ' ILE . 49.0 t -128.92 113.77 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.167 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.566 ' NE2' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -115.94 144.27 44.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.549 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.93 -26.43 12.54 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.046 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.794 HG23 ' CE2' ' A' ' 67' ' ' TYR . 5.2 mm -64.18 147.94 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.606 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -87.45 132.22 34.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.523 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.89 -20.71 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.589 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -24.43 67.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.759 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.947 ' HB3' HD21 ' A' ' 72' ' ' LEU . 5.9 m-30 -52.34 -178.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.976 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.418 ' C ' HD22 ' A' ' 72' ' ' LEU . 76.8 m-20 -91.84 88.68 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.429 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -43.89 -34.41 1.63 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.348 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -79.72 -42.62 24.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -77.9 6.01 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.698 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.947 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -110.48 -65.09 1.19 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.702 0.286 . . . . 0.0 111.01 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 74' ' ' LYS . 3.3 p -79.33 -44.28 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.8 ttpt -64.63 -44.83 89.25 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.423 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -61.04 -42.8 99.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.684 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.63 ' CD2' HD22 ' A' ' 98' ' ' LEU . 18.6 t80 -49.12 -40.77 33.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.559 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 3.8 mtmt -71.51 -10.04 59.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.539 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -102.89 -19.03 14.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.681 0.277 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.48 -36.86 11.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.426 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.544 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 4.2 m-85 -118.56 -18.63 9.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.9 34.25 0.7 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.842 0.354 . . . . 0.0 110.999 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.64 178.16 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.801 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.86 128.04 54.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -125.43 144.88 15.42 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.859 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -125.52 160.83 28.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.32 . . . . 0.0 110.944 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.63 ' O ' HG13 ' A' ' 86' ' ' VAL . 9.5 p -116.54 71.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.469 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.4 pt -83.12 148.37 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.548 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -103.96 76.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.974 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -51.85 130.17 38.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.276 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.41 -15.15 22.45 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.4 2.066 . . . . 0.0 112.27 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 1.6 tm-20 -83.92 -24.62 30.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.566 ' CD2' ' NE2' ' A' ' 61' ' ' GLN . 1.4 m-85 -125.8 -52.16 1.57 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.363 . . . . 0.0 111.052 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.51 -111.29 0.63 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.245 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -105.63 92.73 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 61' ' ' GLN . 35.6 m -121.28 137.97 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.48 ' O ' HG22 ' A' ' 59' ' ' THR . 1.0 OUTLIER -74.65 157.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.579 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.476 HE21 HD22 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -131.39 97.9 4.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.756 0.312 . . . . 0.0 111.201 -179.357 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.052 HD11 HD13 ' A' ' 106' ' ' ILE . 9.7 mt -85.05 156.45 21.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.237 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.95 143.92 26.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.212 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.43 175.02 36.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.714 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 4.5 p-10 -76.2 79.39 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.687 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.474 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.2 mp0 -93.56 12.65 24.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.166 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -27.46 8.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 0.0 110.73 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.33 -22.3 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.913 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -83.71 -34.22 24.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 1.052 HD13 HD11 ' A' ' 98' ' ' LEU . 9.7 tp -67.13 -49.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.656 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.794 ' SG ' HD22 ' A' ' 121' ' ' LEU . 7.1 t -50.77 -33.27 22.62 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -43.53 64.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.934 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.818 ' CE2' HD13 ' A' ' 113' ' ' ILE . 35.7 t80 -62.26 -49.39 75.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.813 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.2 mp -56.82 -29.56 62.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 107' ' ' CYS . 59.7 t -94.84 -25.1 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.189 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.72 -40.73 47.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.956 HD11 HD22 ' A' ' 115' ' ' LEU . 6.6 pt -96.65 -1.32 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.535 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.78 33.04 66.52 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.901 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.956 HD22 HD11 ' A' ' 113' ' ' ILE . 6.7 tp -74.81 -72.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.944 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -89.85 -165.57 1.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.526 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.416 ' HB2' ' HG3' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -125.14 147.06 49.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.309 179.395 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.428 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 3.4 p30 -53.76 -29.44 39.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 111.046 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.47 -23.08 40.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 42' ' ' ASP . 60.8 mt-30 -90.3 -8.86 49.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.437 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.794 HD22 ' SG ' ' A' ' 107' ' ' CYS . 88.6 mt -52.76 93.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.042 0.449 . . . . 0.0 110.832 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.405 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 9.7 mmtt -114.7 84.06 2.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.976 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.499 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 13.3 p -96.41 123.71 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.304 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 14.4 m-70 -129.03 80.98 2.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.466 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.02 121.66 25.36 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.035 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.302 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.894 0.378 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.2 ttt85 -121.3 46.32 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.18 -141.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.9 p -169.85 38.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -113.27 -33.98 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -104.62 112.25 25.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -67.23 79.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -152.9 33.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -80.15 101.5 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -70.85 143.89 50.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -63.74 -45.29 90.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -136.75 81.56 34.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.72 -25.93 23.62 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.577 2.185 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.7 mtm -58.07 -22.13 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.5 t -54.66 -29.79 53.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.072 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.81 84.82 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.431 ' O ' HG22 ' A' ' 17' ' ' ILE . 32.0 mt -90.74 59.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -98.53 149.68 22.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -165.5 39.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.31 -49.18 78.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.99 121.68 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.15 47.15 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 35.7 t80 63.17 139.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -63.96 111.28 5.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -57.87 -27.39 78.36 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.51 2.14 . . . . 0.0 112.247 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -110.9 -62.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.44 45.01 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -137.64 105.32 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 61.27 31.99 19.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.62 -35.31 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -116.69 -47.34 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.0 98.8 1.2 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.536 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -100.59 38.92 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 t0 62.64 82.66 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 mt -105.32 98.32 8.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.32 132.15 92.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.1 123.03 8.54 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.457 2.105 . . . . 0.0 112.275 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -161.29 108.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.273 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.15 74.52 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.403 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.424 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 62.2 p -110.4 -20.66 12.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.707 0.289 . . . . 0.0 111.288 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER 66.22 13.79 9.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.408 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.424 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 0.1 OUTLIER 54.53 62.48 2.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.054 0.454 . . . . 0.0 110.951 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 41' ' ' GLU . 21.9 m-30 -69.92 163.22 26.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.507 HD13 ' HA3' ' A' ' 62' ' ' GLY . 43.7 mm -111.56 103.01 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.33 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -79.83 115.7 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.361 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.744 HD12 ' CG2' ' A' ' 106' ' ' ILE . 26.0 mm -73.17 -94.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.335 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 86.46 126.76 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 112.262 178.82 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.618 HG23 HG22 ' A' ' 56' ' ' THR . 5.9 mt -108.39 158.59 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.067 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.458 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 8.3 pt20 -142.36 102.16 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.936 0.398 . . . . 0.0 110.611 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.546 ' HG3' HG23 ' A' ' 56' ' ' THR . 1.4 tt0 -104.02 123.07 46.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.453 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -87.58 117.33 26.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.256 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t30 64.2 21.19 12.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.58 39.5 60.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.972 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 31.0 mtp85 -152.33 -65.5 0.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.83 0.315 . . . . 0.0 111.512 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 14.2 mmtt -63.51 76.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 0.0 110.837 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.79 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -78.87 142.26 36.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.224 -179.649 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 56' ' ' THR . 1.5 mp -146.73 97.62 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.1 m -72.49 125.35 27.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -106.35 159.03 16.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.988 0.423 . . . . 0.0 111.259 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.548 HG22 HG12 ' A' ' 106' ' ' ILE . 92.6 t -125.63 122.27 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.874 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.653 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -120.93 139.66 52.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.01 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.507 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 111.23 -26.25 12.52 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.35 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.826 HG23 ' CE2' ' A' ' 67' ' ' TYR . 5.7 mm -66.42 146.11 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 111.058 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.583 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -88.54 133.31 34.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.566 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.64 -20.4 60.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.612 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.28 -22.72 67.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.936 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.3 m-30 -52.8 -177.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.477 ' C ' HD22 ' A' ' 72' ' ' LEU . 5.3 m-20 -89.73 89.53 7.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -43.95 -32.11 1.05 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.444 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 11.6 mtmm -78.12 -53.48 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -66.59 -3.01 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.946 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.936 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -102.46 -75.76 0.59 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.717 0.294 . . . . 0.0 111.451 -179.695 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.42 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 2.6 p -75.63 -42.88 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.129 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -62.5 -45.34 93.46 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.079 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.82 92.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.016 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.496 ' CD1' HD22 ' A' ' 98' ' ' LEU . 15.5 t80 -46.57 -48.43 19.58 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.041 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.1 mtpp -64.52 -15.04 60.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.665 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.07 -19.73 17.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.775 0.321 . . . . 0.0 111.322 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 2.4 tttp -97.94 -34.13 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.617 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.487 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 19.1 m-85 -115.84 -17.15 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 71.44 31.39 2.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.94 0.4 . . . . 0.0 110.621 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 57.3 m -105.59 178.67 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.0 117.53 34.45 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -114.97 133.47 11.03 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.861 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.9 p -121.43 169.7 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.658 ' O ' HG13 ' A' ' 86' ' ' VAL . 10.0 p -118.88 78.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.22 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pt -84.61 153.16 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.472 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -106.48 71.88 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.066 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.485 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -47.52 140.17 7.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.463 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.22 -22.57 9.64 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.54 2.16 . . . . 0.0 111.982 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -79.33 -23.85 43.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.987 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.462 ' CD2' HG11 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -117.45 -49.21 2.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 112.95 -18.61 21.63 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.705 -0.76 . . . . 0.0 113.012 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -176.49 110.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.784 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 61' ' ' GLN . 16.5 m -154.78 147.3 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.362 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 59' ' ' THR . 0.4 OUTLIER -77.66 155.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.546 ' CD ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -129.34 96.17 4.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.715 0.293 . . . . 0.0 111.497 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.022 HD11 HD13 ' A' ' 106' ' ' ILE . 7.1 mt -82.27 157.84 23.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.156 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.57 143.0 26.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.774 0.321 . . . . 0.0 111.022 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.62 172.99 39.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.354 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -77.31 79.12 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.42 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -89.1 11.31 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.777 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.478 ' NH1' HG22 ' A' ' 123' ' ' VAL . 4.5 ttt-85 -45.73 -30.72 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -100.16 -22.13 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.206 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -85.33 -36.27 20.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.354 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 1.022 HD13 HD11 ' A' ' 98' ' ' LEU . 8.9 tp -65.27 -49.41 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.253 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.541 ' O ' HG23 ' A' ' 111' ' ' VAL . 28.8 p -53.57 -32.36 50.59 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.408 0.623 . . . . 0.0 109.411 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -44.12 68.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.881 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.741 ' CE2' HD13 ' A' ' 113' ' ' ILE . 40.7 t80 -61.43 -47.96 83.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.747 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.4 mp -58.24 -28.91 65.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 107' ' ' CYS . 50.8 t -95.32 -24.99 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.29 -39.86 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.111 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.997 HD11 HD22 ' A' ' 115' ' ' LEU . 5.8 pt -96.67 -1.21 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.5 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.41 31.27 63.51 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.939 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.997 HD22 HD11 ' A' ' 113' ' ' ILE . 5.8 tp -76.02 -71.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -93.85 166.56 12.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.455 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 150.38 22.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.4 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.5 p-10 -55.31 -28.35 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.77 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.68 -21.04 45.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.36 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 122' ' ' LYS . 45.4 mt-30 -94.05 -3.66 50.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 107' ' ' CYS . 24.9 mt -58.25 78.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.925 0.393 . . . . 0.0 111.314 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.1 mmtt -101.5 73.07 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.938 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.478 HG22 ' NH1' ' A' ' 103' ' ' ARG . 6.4 p -89.51 128.32 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.817 -178.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 11.3 m-70 -137.82 139.85 40.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.95 129.45 8.93 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.165 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.545 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.815 0.341 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 59.72 31.06 20.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.32 -49.73 7.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.0 p -174.07 122.15 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.98 31.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -173.03 73.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.62 -38.42 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -177.18 74.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.07 94.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -158.23 59.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.0 p -59.54 104.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -93.42 131.97 31.41 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.34 -30.36 62.44 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.432 2.088 . . . . 0.0 112.233 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.2 mmt -59.44 -27.52 66.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.8 t -55.26 -35.46 65.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.033 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.36 92.25 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.8 mt -102.68 83.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -63.22 166.99 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -131.0 91.27 3.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp 61.77 157.39 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 63.98 42.57 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 p -95.79 -33.62 12.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.75 112.46 23.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.46 65.42 2.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.79 -34.91 81.64 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.588 2.192 . . . . 0.0 112.308 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -117.5 -56.93 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -178.03 130.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -105.89 115.14 29.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.54 -175.51 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -120.36 -69.76 0.83 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.51 114.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.61 -178.31 27.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.535 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -145.01 67.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.5 83.49 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.76 96.18 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -68.3 145.41 97.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.92 157.75 54.17 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.497 2.132 . . . . 0.0 112.351 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.57 145.49 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.36 -140.68 6.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.424 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -117.0 -28.82 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.644 0.259 . . . . 0.0 111.251 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 5.7 mt-10 65.3 15.03 9.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.289 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.83 63.02 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.967 0.413 . . . . 0.0 110.854 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' ' 41' ' ' GLU . 21.9 m-30 -73.26 161.22 30.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.017 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.45 HD12 HD13 ' A' ' 63' ' ' ILE . 30.2 mm -113.31 93.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.181 0.515 . . . . 0.0 110.274 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -66.33 116.28 7.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.425 -178.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.68 HD12 ' CG2' ' A' ' 106' ' ' ILE . 26.9 mm -79.51 -96.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.862 178.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.15 134.89 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.41 0.624 . . . . 0.0 112.371 178.577 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.853 HG23 HG22 ' A' ' 56' ' ' THR . 3.4 mt -116.77 154.44 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.876 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.9 pt20 -143.49 99.27 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 111.152 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -100.19 99.14 9.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.743 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -54.61 44.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.452 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -105.1 -151.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.747 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.43 34.29 4.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.302 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.6 OUTLIER 177.07 -27.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 67.73 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.079 0.466 . . . . 0.0 110.686 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.853 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -86.49 151.15 23.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.044 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 98' ' ' LEU . 6.1 mt -145.92 81.28 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.6 m -60.09 137.66 58.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -121.19 156.81 31.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.018 0.437 . . . . 0.0 111.389 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.497 ' CG2' HG12 ' A' ' 106' ' ' ILE . 84.6 t -124.48 120.97 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.048 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.741 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -119.78 146.31 45.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.64 179.763 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.93 -23.52 30.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.252 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.882 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -72.76 146.2 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.436 . . . . 0.0 111.08 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.556 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -80.55 139.07 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.977 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -65.63 -14.05 60.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -95.66 30.43 2.32 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.722 0.296 . . . . 0.0 111.35 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.977 ' CB ' HD21 ' A' ' 72' ' ' LEU . 3.5 m-30 -89.28 24.79 2.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.364 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 4.6 t70 82.21 -16.9 0.57 Allowed 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 63.74 -76.35 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.68 0.276 . . . . 0.0 111.447 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 74' ' ' LYS . 7.0 pttm -50.34 -47.0 56.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 111.352 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -59.17 -12.67 5.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.6 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.977 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -98.68 -67.89 0.83 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.64 0.257 . . . . 0.0 111.385 -179.494 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 74' ' ' LYS . 4.4 p -78.75 -45.79 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.212 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 73' ' ' VAL . 1.8 ttmt -61.96 -43.74 98.21 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -65.68 -42.56 91.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.235 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.758 ' CD2' HD22 ' A' ' 98' ' ' LEU . 11.7 t80 -45.95 -52.06 12.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.813 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 14.3 mtmt -61.72 -22.31 65.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -17.79 49.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.857 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 35.4 tttp -104.43 -45.32 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.576 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 0.5 OUTLIER -115.17 -16.77 11.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.771 -179.357 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 67.01 38.5 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.652 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.93 136.18 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.51 109.46 1.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -112.97 136.7 13.66 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.484 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.2 p -133.47 122.06 23.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.165 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.636 ' O ' HG13 ' A' ' 86' ' ' VAL . 8.0 p -77.32 95.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -96.39 150.73 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.298 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -100.83 71.22 1.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.094 0.473 . . . . 0.0 110.226 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.485 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -46.72 138.62 6.88 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.456 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -77.74 -20.47 11.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.53 2.154 . . . . 0.0 112.094 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -82.28 -23.97 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -116.64 -50.52 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.984 -179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 115.2 -19.48 15.0 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.711 -0.756 . . . . 0.0 113.239 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.36 107.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.815 0.307 . . . . 0.0 111.029 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 61' ' ' GLN . 12.6 m -152.54 145.4 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -77.09 157.6 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.162 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.422 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -134.08 97.69 3.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 0.0 111.279 -179.351 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.904 HD11 HD13 ' A' ' 106' ' ' ILE . 17.3 mt -85.18 157.85 20.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.188 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -95.15 135.1 37.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.19 165.79 34.95 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.24 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 5.3 p-10 -66.09 96.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.419 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -109.76 4.92 22.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.065 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.433 ' HB2' HG23 ' A' ' 123' ' ' VAL . 1.3 ptm180 -47.77 -27.62 2.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.785 0.326 . . . . 0.0 111.226 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -94.29 -26.41 16.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -86.83 -41.16 14.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.904 HD13 HD11 ' A' ' 98' ' ' LEU . 8.1 tp -60.16 -49.9 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.526 ' N ' HG23 ' A' ' 106' ' ' ILE . 82.6 m -57.67 -34.04 68.97 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -32.4 66.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.512 178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.874 ' CE2' HD13 ' A' ' 113' ' ' ILE . 79.0 t80 -74.42 -45.22 47.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.458 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.722 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.1 mp -57.89 -29.33 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.837 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 107' ' ' CYS . 55.6 t -92.65 -28.65 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.84 -43.19 65.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.946 HD11 HD22 ' A' ' 115' ' ' LEU . 9.4 pt -87.56 -24.9 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.329 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.2 30.07 8.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.789 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 113' ' ' ILE . 3.8 tp -79.1 -71.82 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.722 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -92.44 -164.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.709 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.42 153.71 40.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.66 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.581 ' HA ' HD12 ' A' ' 121' ' ' LEU . 12.5 t0 -55.62 -24.26 32.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.709 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.421 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 53.9 m-20 -77.28 -21.5 53.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 109.824 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 41.7 mt-30 -106.68 -11.03 15.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.132 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 118' ' ' ASP . 14.4 mt -51.02 93.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 3.1 mmtt -112.34 80.23 1.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.2 p -92.13 113.75 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 33.9 m-70 -114.31 -26.19 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.41 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 51.71 -108.73 0.66 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.428 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.971 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ttm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.894 0.378 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -124.64 29.62 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -160.85 27.31 0.3 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.0 m 58.76 77.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.2 m170 63.42 -79.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -156.02 130.8 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.814 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -145.27 101.36 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -143.54 -69.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -163.67 52.61 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -140.76 98.78 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.7 p -68.14 122.6 18.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -102.75 97.4 9.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.066 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.79 -0.65 8.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 112.291 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.554 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER 55.2 38.11 29.92 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -178.676 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 52.87 29.08 7.21 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.18 15.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.973 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.554 HD12 ' O ' ' A' ' 14' ' ' MET . 10.3 mt -72.5 116.4 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.825 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -117.9 -167.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -101.23 34.81 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.025 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 23' ' ' PHE . 2.8 mm? -120.76 -85.25 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.823 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.46 100.23 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.801 0.334 . . . . 0.0 111.217 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m 75.75 -58.59 0.55 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.6 ' O ' HD12 ' A' ' 20' ' ' LEU . 26.8 t80 -45.69 133.99 7.71 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.282 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 47.2 m-20 -93.77 124.42 56.79 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 31.2 Cg_exo -58.18 -41.85 62.95 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.35 2.034 . . . . 0.0 112.242 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -125.88 29.27 5.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.014 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.55 117.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -162.05 143.45 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 114.78 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.54 59.42 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -127.43 95.72 4.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.798 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.24 39.94 1.62 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.621 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 t0 59.2 55.61 4.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -145.25 37.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 35' ' ' LEU . 13.0 tp -110.58 67.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.79 150.07 38.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.03 149.33 27.34 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.58 2.187 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.28 82.6 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.49 48.59 0.31 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.423 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -104.87 -28.81 10.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 2.7 mt-10 65.8 9.69 6.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.65 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.437 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 3.2 m-20 55.0 61.54 2.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 40' ' ' THR . 19.9 m-30 -56.41 162.72 2.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.255 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.443 HD13 ' HA3' ' A' ' 62' ' ' GLY . 44.2 mm -115.11 102.31 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.37 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.515 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -73.33 129.52 38.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.104 -179.001 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.799 HD12 HG21 ' A' ' 106' ' ' ILE . 23.5 mm -91.66 -98.01 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.947 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 2.8 ttt85 86.12 134.86 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.305 0.574 . . . . 0.0 112.423 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.582 ' CG2' HG22 ' A' ' 56' ' ' THR . 17.0 mt -114.9 155.58 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.425 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' HG3' ' HB2' ' A' ' 57' ' ' LEU . 2.6 pt20 -138.67 94.23 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.489 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.458 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 2.1 tt0 -93.59 116.88 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.245 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -95.55 125.14 39.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.405 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 66.39 21.82 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.22 44.02 96.2 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.719 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -167.74 -45.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.0 111.323 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -70.37 65.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 110.674 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.582 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -73.98 135.41 43.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.079 -179.744 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.901 HD23 ' O ' ' A' ' 98' ' ' LEU . 1.2 mt -142.63 110.33 5.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.61 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -89.83 118.61 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 110.97 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -101.1 161.68 13.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.951 0.405 . . . . 0.0 111.296 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.581 HG12 HG12 ' A' ' 63' ' ' ILE . 45.7 t -129.48 117.58 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -116.31 142.91 46.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.392 179.662 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 113.07 -29.84 7.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.0 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.809 HG23 ' CE2' ' A' ' 67' ' ' TYR . 8.5 mm -57.84 144.67 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.936 0.398 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.611 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -80.62 137.53 36.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.574 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -17.15 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.795 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.52 -26.45 64.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.947 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.809 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.2 m-30 -47.67 166.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -82.01 70.41 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.144 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.709 ' HD2' HG21 ' A' ' 86' ' ' VAL . 32.3 ttpt -35.75 -46.23 0.43 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.865 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 7.3 mmtp -55.92 -54.82 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -4.19 57.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.408 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.731 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.8 tt -71.87 -64.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.784 0.326 . . . . 0.0 110.714 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.523 HG21 ' C ' ' A' ' 84' ' ' GLY . 7.6 p -82.79 -35.94 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.557 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 4.8 tptt -52.85 -43.61 66.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.634 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.22 -31.72 73.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.768 ' CD2' HD22 ' A' ' 98' ' ' LEU . 8.9 t80 -59.78 -42.73 94.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -8.73 56.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.253 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -103.79 -19.56 14.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 111.056 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -97.0 -42.89 7.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.336 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.7 m-85 -111.74 -15.69 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.608 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 68.13 37.59 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.815 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.8 m -108.66 169.16 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -92.01 110.47 21.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.772 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.523 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -116.65 139.89 15.55 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.747 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.0 p -135.34 168.71 18.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.709 HG21 ' HD2' ' A' ' 69' ' ' LYS . 14.4 p -117.9 118.06 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.441 HD11 ' HG3' ' A' ' 97' ' ' GLN . 17.5 pt -124.56 148.22 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.304 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -102.84 74.25 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.6 t-80 -59.79 138.07 90.21 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.012 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.64 -20.03 9.58 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.6 2.2 . . . . 0.0 112.277 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -79.73 -23.71 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -124.22 -50.39 1.79 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.962 -179.677 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.84 106.65 2.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.685 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 55.17 83.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.768 0.318 . . . . 0.0 111.213 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 61' ' ' GLN . 30.5 m -131.77 131.51 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.657 ' O ' HG22 ' A' ' 59' ' ' THR . 0.8 OUTLIER -70.29 157.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.078 179.587 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.728 ' NE2' HD13 ' A' ' 57' ' ' LEU . 1.1 tt0 -132.79 105.88 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.367 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.086 HD11 HD13 ' A' ' 106' ' ' ILE . 9.1 mt -92.02 156.99 17.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.159 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.29 141.86 29.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.79 0.328 . . . . 0.0 110.802 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.03 175.44 48.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.101 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.451 ' HA ' HD13 ' A' ' 48' ' ' ILE . 4.6 p-10 -77.94 87.32 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.983 0.42 . . . . 0.0 110.756 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.473 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.6 mp0 -102.21 13.11 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.057 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.407 ' O ' HG21 ' A' ' 123' ' ' VAL . 9.8 ptt85 -52.01 -25.34 8.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.846 0.355 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.57 -20.62 13.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -88.04 -34.49 17.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 1.086 HD13 HD11 ' A' ' 98' ' ' LEU . 8.1 tp -64.82 -50.04 77.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.351 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.697 ' HB2' HD22 ' A' ' 121' ' ' LEU . 5.1 p -53.49 -33.28 53.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.44 0.638 . . . . 0.0 109.413 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -69.27 -47.27 65.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.986 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.867 ' CE2' HD13 ' A' ' 113' ' ' ILE . 61.8 t80 -59.18 -51.01 71.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.192 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.2 mp -55.56 -29.34 58.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 107' ' ' CYS . 60.0 t -94.23 -24.89 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.274 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.55 -42.08 30.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.115 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.916 HD11 HD22 ' A' ' 115' ' ' LEU . 12.2 pt -88.75 -22.01 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.328 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.27 35.57 6.24 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.726 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.916 HD22 HD11 ' A' ' 113' ' ' ILE . 4.6 tp -84.48 -71.3 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.805 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.702 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.42 -164.44 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 152.62 46.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 8.9 p-10 -59.47 -28.9 67.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.651 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.23 -28.28 34.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.365 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 47.7 mt-30 -83.59 -6.37 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.23 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.697 HD22 ' HB2' ' A' ' 107' ' ' CYS . 56.4 mt -52.88 92.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.038 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.408 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -115.55 83.76 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.5 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 14.9 p -97.08 125.44 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.303 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.515 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 14.0 m-70 -128.35 77.57 1.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.309 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.04 120.96 25.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.39 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.423 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.865 0.365 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -121.63 100.56 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.24 -157.02 2.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.603 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.8 m -75.11 -64.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.6 t60 63.4 123.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -173.34 105.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.998 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -157.01 26.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -88.22 107.15 18.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -126.66 -50.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -95.81 -36.43 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 m -110.86 119.87 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.23 149.7 66.73 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.07 -32.98 71.7 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.625 2.217 . . . . 0.0 112.243 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -78.48 -30.44 47.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -58.49 -36.21 73.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.46 90.84 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.8 mt -102.4 113.24 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -147.99 59.82 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -95.33 -15.77 22.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 20' ' ' LEU . 14.6 mt -51.36 -47.65 62.72 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 0.0 111.229 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -77.46 132.55 38.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -176.91 80.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -71.69 130.0 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -59.6 153.23 52.32 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.04 -26.81 33.74 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.525 2.15 . . . . 0.0 112.256 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.65 32.38 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.68 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.56 68.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.87 -43.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.06 112.57 0.54 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.41 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.42 -168.88 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -71.57 -67.98 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.48 62.42 1.43 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -150.9 43.13 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.65 72.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.26 78.15 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 mt 62.9 122.67 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.93 88.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.482 2.121 . . . . 0.0 112.263 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 63.17 128.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.725 ' O ' HG23 ' A' ' 40' ' ' THR . . . -85.89 -116.21 0.89 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 39' ' ' GLY . 0.7 OUTLIER -171.72 -37.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.762 0.315 . . . . 0.0 111.125 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.9 OUTLIER 67.49 11.4 8.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.508 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.455 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 1.0 OUTLIER 52.87 60.13 4.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.008 0.432 . . . . 0.0 110.991 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 40' ' ' THR . 22.0 m-30 -60.81 161.09 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.137 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 61' ' ' GLN . 38.6 mm -111.11 92.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.137 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.551 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -67.2 113.95 5.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.363 -178.847 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.544 HD12 ' CG2' ' A' ' 106' ' ' ILE . 28.1 mm -77.64 -96.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.999 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 4.9 ttt180 86.15 135.16 0.05 OUTLIER 'General case' 0 C--N 1.344 0.329 0 CA-C-O 121.189 0.519 . . . . 0.0 112.162 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.803 HG23 HG22 ' A' ' 56' ' ' THR . 6.1 mt -113.75 154.36 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.011 179.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.0 OUTLIER -137.9 103.23 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 111.207 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.5 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -105.29 101.34 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.506 179.702 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.16 -80.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.614 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -92.6 44.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.868 0.366 . . . . 0.0 111.196 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.29 24.64 52.36 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.291 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 13.2 ptm180 -150.59 -46.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 1.7 tppt? -70.93 66.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.03 0.443 . . . . 0.0 110.483 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.803 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -73.2 139.58 46.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.047 -179.624 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 56' ' ' THR . 2.1 mp -142.45 97.78 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.739 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.557 HG23 HG13 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -72.48 117.97 14.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 -179.703 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -98.19 152.24 19.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.748 179.578 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 106' ' ' ILE . 67.5 t -121.13 117.91 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.958 0.409 . . . . 0.0 110.784 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -115.66 152.65 32.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.825 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.487 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 102.28 -30.25 10.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.939 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.82 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.7 mm -60.9 148.42 9.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.929 0.395 . . . . 0.0 111.022 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -88.25 133.25 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.429 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -58.28 -22.18 51.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.595 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.17 -27.39 67.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.82 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.3 m-30 -53.22 -177.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.687 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 71' ' ' LYS . 19.5 m-20 -95.77 80.52 3.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.976 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -38.45 -56.43 1.26 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.991 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -47.79 81.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.065 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . 2.1 ttpt -61.48 -38.54 87.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.517 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.729 ' HG ' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -56.93 -54.53 45.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.541 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.623 HG13 ' HA3' ' A' ' 84' ' ' GLY . 2.4 t -73.97 -44.75 50.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.237 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -55.89 -44.89 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.092 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.86 73.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.103 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.484 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 19.4 t80 -49.2 -55.96 10.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.031 0.443 . . . . 0.0 110.785 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 16.1 mtmt -59.64 -18.93 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.446 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.73 -19.2 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.672 0.272 . . . . 0.0 111.514 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HD3' ' CE2' ' A' ' 80' ' ' PHE . 3.9 tmtm? -95.4 -36.7 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.55 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 2.8 m-85 -119.39 -13.88 9.23 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.16 27.53 1.53 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 73.4 m -89.95 -170.6 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.717 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.424 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.5 OUTLIER -115.73 113.35 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.84 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.623 ' HA3' HG13 ' A' ' 73' ' ' VAL . . . -104.76 139.56 14.66 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.409 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -150.05 122.48 8.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.534 HG23 HD12 ' A' ' 96' ' ' ILE . 11.5 p -78.71 144.87 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.287 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.401 HG12 ' HB2' ' A' ' 97' ' ' GLN . 1.2 pp -156.62 158.25 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -105.76 77.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.183 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.7 t-80 -55.97 131.84 73.74 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.396 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -77.41 -13.85 16.51 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.555 2.17 . . . . 0.0 112.148 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.53 -23.58 29.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.0 m-85 -128.15 -54.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.88 107.66 3.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.774 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.18 88.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.437 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 61' ' ' GLN . 18.8 m -146.04 148.61 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.534 HD12 HG23 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -84.6 130.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.088 0.47 . . . . 0.0 110.679 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.526 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -101.44 106.67 17.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.039 -178.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 3.3 mp -89.78 165.61 14.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.589 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.424 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 5.9 tm0? -104.84 139.52 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.855 0.36 . . . . 0.0 111.01 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.19 -179.29 42.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.25 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.419 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 7.7 p-10 -79.35 88.78 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.4 . . . . 0.0 110.611 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.413 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -104.73 5.29 33.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.937 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.497 ' N ' HG21 ' A' ' 58' ' ' THR . 0.4 OUTLIER -47.83 -28.03 2.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 -179.86 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -93.48 -23.64 18.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -89.63 -34.43 16.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.69 0.281 . . . . 0.0 111.165 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 60' ' ' VAL . 9.4 tp -64.91 -51.44 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.995 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.699 ' HB2' HD22 ' A' ' 121' ' ' LEU . 4.6 p -54.97 -34.81 63.66 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -34.93 65.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.559 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.923 ' CE2' HD13 ' A' ' 113' ' ' ILE . 80.6 t80 -71.76 -47.67 52.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.648 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.9 mp -56.94 -29.51 63.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.752 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 107' ' ' CYS . 51.8 t -92.08 -28.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.43 -44.61 57.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.923 HD13 ' CE2' ' A' ' 109' ' ' PHE . 10.3 pt -86.01 -24.32 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.459 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.98 32.46 7.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.659 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.729 HD21 ' HG ' ' A' ' 72' ' ' LEU . 7.2 tp -79.82 -67.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.761 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -94.3 -165.38 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.52 145.16 51.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.506 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.3 p-10 -51.98 -27.58 13.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.026 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -80.5 -26.3 38.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.519 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 42' ' ' ASP . 61.9 mt-30 -89.21 -4.29 58.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.699 HD22 ' HB2' ' A' ' 107' ' ' CYS . 42.5 mt -53.87 90.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.123 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 2.8 mmtt -112.02 79.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.678 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.9 p -92.5 117.72 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.332 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.551 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 16.8 m-70 -123.81 81.34 1.9 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.441 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.02 121.28 25.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.055 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.325 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.778 0.323 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.53 -52.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.91 51.65 3.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.53 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.2 t -65.1 144.96 56.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -89.19 -34.57 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -162.71 179.96 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.38 110.86 21.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -67.99 -37.14 81.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -147.03 113.4 5.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.676 ' O ' HG23 ' A' ' 11' ' ' THR . 12.5 t-160 -118.32 132.17 56.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 10' ' ' HIS . 1.1 p -166.64 -71.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.612 ' CB ' ' HB3' ' A' ' 16' ' ' ALA . 29.5 p-10 -163.46 99.53 0.99 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.788 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.98 60.94 8.07 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.538 2.159 . . . . 0.0 112.668 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.677 ' HA ' HD11 ' A' ' 17' ' ' ILE . 0.1 OUTLIER 52.44 18.12 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.446 -179.676 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -136.3 14.86 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.637 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.612 ' HB3' ' CB ' ' A' ' 12' ' ' ASP . . . -134.8 21.99 3.57 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.343 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 14' ' ' MET . 1.1 mp -82.6 142.52 13.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.04 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -77.86 131.4 37.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -133.46 106.25 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -86.2 -40.72 15.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.7 177.84 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -111.37 85.02 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -90.87 129.94 36.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 59.89 78.01 0.35 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.2 -28.53 52.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.597 2.198 . . . . 0.0 112.344 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -104.83 -40.54 5.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.68 76.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -60.67 126.43 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.17 32.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -169.41 110.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.82 107.64 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.62 -149.1 6.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -142.66 -49.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.59 -68.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.69 -176.74 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.0 mm? -107.91 132.41 21.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.786 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.89 -67.35 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.388 2.058 . . . . 0.0 112.269 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.5 70.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.06 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.651 ' O ' HG23 ' A' ' 40' ' ' THR . . . -68.72 -113.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.547 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 39' ' ' GLY . 2.1 p -164.28 -41.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.697 0.284 . . . . 0.0 110.972 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' CB ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 62.57 15.88 8.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.418 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.67 61.95 2.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.151 0.5 . . . . 0.0 111.017 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 40' ' ' THR . 17.1 m-85 -66.04 176.87 1.52 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.041 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.7 mm -117.36 101.5 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.14 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.502 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -68.9 128.99 38.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.733 -179.205 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.948 HD13 HG22 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -124.49 106.2 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.321 179.004 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.46 165.68 11.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.459 -178.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.822 HD11 ' HA ' ' A' ' 101' ' ' ASP . 2.1 tt -136.25 141.9 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.721 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 56' ' ' THR . 0.7 OUTLIER -129.12 91.42 3.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.748 0.309 . . . . 0.0 111.449 -179.578 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HB2' HG23 ' A' ' 56' ' ' THR . 14.1 tt0 -94.02 98.91 11.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.1 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.98 138.52 31.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.609 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 61.79 22.42 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.995 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.17 42.06 99.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.491 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 12.4 ptm180 -175.01 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.715 0.293 . . . . 0.0 111.269 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -68.53 70.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.685 HG22 HG12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -86.72 143.55 27.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.387 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.902 HD23 ' O ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -147.44 88.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.353 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.0 m -63.44 126.27 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.669 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -112.5 161.22 16.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.839 179.388 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.948 HG22 HD13 ' A' ' 46' ' ' ILE . 44.9 t -131.06 126.06 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.223 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.609 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -123.24 143.59 49.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.482 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.71 -27.22 12.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.119 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.869 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.9 mm -61.65 145.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.976 0.417 . . . . 0.0 110.966 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.735 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.87 144.71 33.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.093 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.41 -9.2 57.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.244 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -94.59 25.09 4.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.275 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.869 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.6 m-30 -89.25 25.57 1.86 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.289 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 3.1 t0 80.46 -15.01 0.78 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.763 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 62.36 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 111.124 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -53.26 -67.32 0.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.191 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -48.0 -27.16 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.377 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.611 ' CD2' HD21 ' A' ' 115' ' ' LEU . 1.5 tt -62.09 -68.93 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.578 HG21 ' C ' ' A' ' 84' ' ' GLY . 10.7 p -82.38 -40.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.62 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' N ' HG13 ' A' ' 73' ' ' VAL . 22.1 tttt -47.63 -42.95 25.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.443 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.01 -29.43 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CD2' HD22 ' A' ' 98' ' ' LEU . 7.5 t80 -60.45 -46.66 89.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.9 mtpt -70.1 -9.76 56.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.307 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.55 -21.39 13.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.704 0.288 . . . . 0.0 110.965 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 tmtm? -95.07 -37.61 11.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.403 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.526 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 7.7 m-85 -114.92 -18.08 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.551 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.26 32.37 1.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.972 0.415 . . . . 0.0 110.771 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.9 m -105.04 -177.49 3.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.638 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.73 116.14 31.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 109.985 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.578 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -123.66 131.1 7.93 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.361 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.449 ' O ' HD13 ' A' ' 96' ' ' ILE . 23.2 p -125.27 168.34 13.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.906 0.384 . . . . 0.0 111.248 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.6 p -118.01 107.96 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.781 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.1 pt -115.16 151.72 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.429 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -101.9 71.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.561 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -55.68 136.22 71.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.134 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.97 -18.42 13.05 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.531 2.154 . . . . 0.0 112.165 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.469 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -81.16 -23.56 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.578 ' CD2' ' NE2' ' A' ' 61' ' ' GLN . 1.2 m-85 -123.46 -51.23 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.076 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.67 99.6 2.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 62.09 88.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 61' ' ' GLN . 18.6 m -140.57 137.36 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.743 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mm -73.13 155.83 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.131 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.784 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -132.48 103.56 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.799 0.333 . . . . 0.0 111.509 -179.296 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.964 HD11 HD13 ' A' ' 106' ' ' ILE . 3.2 mt -90.56 156.36 18.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.91 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.98 147.79 24.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.788 0.327 . . . . 0.0 111.014 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.47 169.42 1.86 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.172 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.822 ' HA ' HD11 ' A' ' 48' ' ' ILE . 5.4 p-10 -72.64 97.46 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.745 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.46 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.4 OUTLIER -104.3 14.3 30.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.932 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -44.91 -32.87 1.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 0.0 111.426 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -93.81 -22.71 18.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.409 ' HB2' ' HG3' ' A' ' 102' ' ' GLN . 27.3 m-80 -88.7 -38.22 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.044 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.964 HD13 HD11 ' A' ' 98' ' ' LEU . 6.8 tp -67.94 -50.51 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.621 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.556 ' O ' HG23 ' A' ' 111' ' ' VAL . 8.4 m -59.53 -32.73 70.58 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -33.06 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.422 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.838 ' CE2' HD13 ' A' ' 113' ' ' ILE . 70.6 t80 -72.62 -45.1 60.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.323 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.64 HD23 ' CB ' ' A' ' 116' ' ' ALA . 6.1 mp -58.8 -29.46 66.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.701 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 107' ' ' CYS . 48.6 t -91.58 -30.63 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.57 -44.63 70.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.826 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.969 HD11 HD22 ' A' ' 115' ' ' LEU . 6.4 pt -89.14 -17.0 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.451 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.89 32.34 21.38 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.581 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.969 HD22 HD11 ' A' ' 113' ' ' ILE . 4.6 tp -76.74 -72.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 111.067 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.64 ' CB ' HD23 ' A' ' 110' ' ' LEU . . . -90.31 -168.49 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.473 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 149.24 52.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.637 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.523 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.9 t70 -58.23 -28.21 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.333 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 1.9 m-20 -76.65 -19.55 57.65 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.418 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 67.6 mt-30 -103.35 -12.67 17.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.061 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.546 HD22 ' SG ' ' A' ' 107' ' ' CYS . 17.8 mt -50.63 92.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.004 0.43 . . . . 0.0 111.146 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -114.83 84.05 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 123' ' ' VAL . 13.8 p -89.9 124.05 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 111.755 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.502 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 42.4 m-70 -131.83 84.48 2.17 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.817 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 126' ' ' PHE . . . -74.7 100.55 1.21 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.701 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.615 ' N ' HG22 ' A' ' 48' ' ' ILE . 1.5 p90 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.146 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.888 0.375 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 ttp85 -120.28 81.18 1.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.61 166.51 28.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.542 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -98.64 118.25 34.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.3 -169.75 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 42.25 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -58.82 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 62.61 -171.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -151.86 -77.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.51 93.93 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 p -121.75 -78.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.92 59.48 7.84 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.77 -28.89 19.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.573 2.182 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.6 mtt -97.49 37.52 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.7 -25.87 10.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.21 40.62 1.08 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mt -139.96 95.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 63.82 126.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.77 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -135.5 108.14 7.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.031 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.68 114.62 21.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.764 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -72.21 85.2 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.034 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -151.81 98.41 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -87.16 133.77 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.31 66.38 2.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.7 -44.04 39.68 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.62 2.213 . . . . 0.0 112.215 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -112.82 -28.86 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.039 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.17 86.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -171.17 -165.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.752 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.86 -175.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.94 0.4 . . . . 0.0 111.275 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m 63.75 148.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -102.26 -40.91 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.02 164.3 35.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.593 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -112.85 31.5 6.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -80.38 81.31 6.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.1 152.93 43.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt 62.41 150.12 0.1 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.38 99.65 0.83 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.532 2.155 . . . . 0.0 112.287 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.52 95.82 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.91 87.25 0.45 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.41 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.511 HG22 ' OH ' ' A' ' 43' ' ' TYR . 1.9 p -114.57 70.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 111.109 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -134.6 -4.53 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.848 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.66 81.14 1.99 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.811 0.339 . . . . 0.0 110.661 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.511 ' OH ' HG22 ' A' ' 40' ' ' THR . 80.5 m-85 -121.99 164.85 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.51 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.821 HD13 ' HA3' ' A' ' 62' ' ' GLY . 32.9 mm -128.07 77.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.45 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.575 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -60.15 154.97 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.647 -178.494 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.596 HG13 HG22 ' A' ' 60' ' ' VAL . 1.2 mp -148.23 101.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.824 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 124' ' ' HIS . 2.1 mtt180 -121.41 138.23 54.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.156 0.503 . . . . 0.0 112.026 -178.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.747 ' CG2' HG22 ' A' ' 56' ' ' THR . 89.7 mt -87.42 157.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.723 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' HG22 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -138.84 82.95 1.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.981 179.164 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.607 ' HG3' HG23 ' A' ' 56' ' ' THR . 2.6 tt0 -87.65 99.15 11.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.476 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -76.85 119.57 20.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.198 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 71.36 21.47 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.651 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.97 27.57 72.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.885 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' THR . 9.0 mtt180 -142.7 -63.32 0.42 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.701 0.251 . . . . 0.0 111.373 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -61.83 77.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.747 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -79.54 129.7 34.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.212 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.895 HD23 ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -140.57 107.33 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -76.43 133.03 39.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.288 -179.718 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.541 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -121.79 130.84 53.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.867 0.365 . . . . 0.0 111.028 179.746 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.615 HG11 HG12 ' A' ' 63' ' ' ILE . 54.6 t -97.34 128.29 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -113.43 81.66 1.55 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.302 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.821 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 167.86 -33.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.742 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.907 HG23 ' CD2' ' A' ' 67' ' ' TYR . 34.0 mm -54.18 140.75 10.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.072 0.463 . . . . 0.0 111.319 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.643 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -86.59 139.42 30.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.412 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -61.0 -21.02 63.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.07 -29.2 70.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.821 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.907 ' CD2' HG23 ' A' ' 63' ' ' ILE . 3.8 m-30 -51.56 142.1 14.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.35 101.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.31 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -41.99 -43.41 3.15 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.52 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 3.6 ptpp? -69.73 -41.0 75.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.75 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -4.22 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.86 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.886 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -104.75 -71.18 0.75 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.422 -179.708 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.415 HG13 ' CD1' ' A' ' 96' ' ' ILE . 31.0 m -77.81 -41.97 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.51 0.195 . . . . 0.0 111.403 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -63.62 -47.06 82.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -61.71 -45.26 94.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.831 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.754 ' CD2' HD22 ' A' ' 98' ' ' LEU . 5.1 t80 -45.3 -56.13 5.21 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.825 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 4.3 mtpm? -55.66 -22.76 24.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.192 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.01 -18.19 54.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.768 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -108.61 -42.75 4.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.49 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.495 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -115.43 -16.94 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.767 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 65.91 33.48 7.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.875 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.422 ' SG ' ' NE2' ' A' ' 102' ' ' GLN . 64.6 m -100.64 144.31 29.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.777 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.7 98.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.794 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.77 139.49 14.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 97' ' ' GLN . 80.3 p -139.59 148.4 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.635 ' O ' HG13 ' A' ' 86' ' ' VAL . 7.1 p -109.5 95.0 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.745 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 pt -108.78 150.99 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.926 0.394 . . . . 0.0 111.668 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -98.74 75.04 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.925 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -52.06 139.02 34.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.545 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.21 -24.78 5.32 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.63 2.22 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 24.1 mt-10 -83.67 -26.84 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.442 ' CG ' ' OE1' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -112.08 -51.94 2.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.906 0.384 . . . . 0.0 110.797 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.65 96.97 1.86 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 65.55 92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 61' ' ' GLN . 31.2 m -142.91 149.02 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.6 OUTLIER -92.42 117.67 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.322 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.613 ' HG2' HD22 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -96.89 110.87 23.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.772 -179.09 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.895 ' O ' HD23 ' A' ' 57' ' ' LEU . 8.6 mt -104.93 156.85 17.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.928 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.69 142.09 27.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 111.652 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.65 177.23 50.13 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.624 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -77.97 75.63 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.356 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.445 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.2 mp0 -92.04 6.33 46.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.742 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.44 ' HG2' HD11 ' A' ' 48' ' ' ILE . 4.1 ptt180 -44.57 -31.21 1.06 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.856 0.36 . . . . 0.0 111.06 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.45 -24.22 15.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.039 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -81.74 -41.41 21.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.541 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.834 HD13 HD11 ' A' ' 98' ' ' LEU . 6.0 tp -67.39 -48.31 78.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.665 ' HB2' HD22 ' A' ' 121' ' ' LEU . 29.2 p -53.68 -33.47 55.49 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -67.23 -53.32 31.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.723 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.948 ' CE2' HD13 ' A' ' 113' ' ' ILE . 63.6 t80 -55.81 -47.66 76.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.866 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.714 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.7 mp -55.0 -30.56 59.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.864 HG21 HD11 ' A' ' 121' ' ' LEU . 64.8 t -94.56 -25.66 4.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.073 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.53 -40.68 49.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.019 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.979 HD11 HD22 ' A' ' 115' ' ' LEU . 12.9 pt -90.12 -23.91 5.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.765 0.316 . . . . 0.0 111.3 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.76 29.85 7.51 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.858 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.979 HD22 HD11 ' A' ' 113' ' ' ILE . 2.5 tp -78.68 -73.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 0.0 110.746 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.776 ' HB2' HG21 ' A' ' 44' ' ' ILE . . . -84.17 -167.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.433 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.48 151.47 51.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.531 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.741 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.1 p-10 -61.42 -28.92 69.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.418 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -80.27 -15.85 56.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.875 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -111.62 0.66 16.45 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.196 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.864 HD11 HG21 ' A' ' 111' ' ' VAL . 13.9 mt -64.65 76.8 0.04 OUTLIER 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.808 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -93.39 79.26 4.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.752 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.4 p -87.69 121.02 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.616 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 47' ' ' ARG . 71.9 m-70 -130.63 137.83 49.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -104.47 126.84 8.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.084 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.185 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 mtm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.801 0.334 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.48 50.72 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.98 68.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p -100.77 37.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -131.84 -59.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t60 69.38 9.39 7.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.525 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 168.97 -78.43 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.791 0.329 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -161.88 44.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.78 135.55 57.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -97.51 76.17 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 p -105.72 165.2 11.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.808 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 59.76 97.2 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.8 -1.76 9.05 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.612 2.208 . . . . 0.0 112.344 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.572 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER 55.61 38.3 30.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.0 t 52.46 29.15 6.65 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.72 33.74 12.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.16 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.599 ' O ' HG22 ' A' ' 17' ' ' ILE . 12.0 mt -74.78 90.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.557 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.35 119.56 39.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 61.92 118.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.037 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' HA ' HD13 ' A' ' 20' ' ' LEU . 3.7 mm? -74.42 143.35 44.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -160.0 130.3 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 p -115.48 137.23 52.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -131.91 121.76 24.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -124.16 139.88 33.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 38.9 Cg_exo -59.25 -20.14 53.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.358 2.039 . . . . 0.0 112.3 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -86.4 -37.6 18.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.656 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.58 40.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -128.39 -49.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.59 96.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 p -157.65 105.12 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.07 151.87 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -143.01 -156.48 6.79 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -94.23 110.3 22.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -129.45 44.28 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.634 ' C ' HD22 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -120.32 166.45 13.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.634 HD22 ' C ' ' A' ' 35' ' ' LEU . 4.2 mm? -124.88 156.37 68.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.24 109.33 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.648 2.232 . . . . 0.0 112.256 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.65 137.12 48.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -116.61 -129.54 4.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.557 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 1.5 p -127.43 -41.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.739 0.304 . . . . 0.0 111.099 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' CB ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 66.6 12.0 8.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.495 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.46 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 0.4 OUTLIER 50.94 56.97 7.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.061 0.458 . . . . 0.0 110.93 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CE1' ' CB ' ' A' ' 41' ' ' GLU . 17.8 m-85 -60.63 165.17 4.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.019 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.508 HD12 HD13 ' A' ' 63' ' ' ILE . 50.8 mm -116.51 103.51 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.102 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.654 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -63.92 139.93 58.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.621 -178.634 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.654 HD12 ' C ' ' A' ' 45' ' ' HIS . 1.6 mp -136.8 104.05 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.811 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -125.45 144.96 50.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.351 0.596 . . . . 0.0 112.433 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.869 HG23 HG22 ' A' ' 56' ' ' THR . 8.0 mt -97.43 149.77 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.371 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -140.15 88.77 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.093 0.473 . . . . 0.0 110.962 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.1 tt0 -92.4 95.47 9.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.543 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -55.57 -36.03 66.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -127.82 -152.22 0.51 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.025 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.98 36.23 3.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.457 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' THR . 11.5 ptp180 173.19 -27.27 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.432 0.158 . . . . 0.0 111.418 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -67.67 65.74 0.08 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.947 0.403 . . . . 0.0 110.786 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.869 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -84.94 151.74 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.157 -179.603 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.461 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 5.1 mt -151.0 72.66 1.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.985 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 90.9 m -51.67 141.7 16.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.344 . . . . 0.0 111.361 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.436 ' CG2' ' HG3' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -123.37 157.29 33.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 179.82 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.57 HG12 HG12 ' A' ' 63' ' ' ILE . 53.8 t -130.41 121.3 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.051 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.2 139.94 51.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.464 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.41 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 115.07 -30.24 6.91 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.135 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.798 HG23 ' CE2' ' A' ' 67' ' ' TYR . 9.2 mm -56.44 145.18 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.02 0.438 . . . . 0.0 111.085 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.623 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -82.48 133.33 35.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.478 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.06 -18.61 61.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.678 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.85 -25.57 66.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.711 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.798 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.7 m-30 -49.4 167.59 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.75 81.86 8.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.275 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.76 ' HD3' HG21 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -36.97 -42.96 0.43 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.523 -179.58 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -63.07 -68.73 0.31 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.574 179.557 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -58.94 -18.85 37.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.431 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.706 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.2 tt -65.55 -68.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.423 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.894 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.11 -40.52 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.667 -179.585 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -50.49 -41.81 53.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.957 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.8 74.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.66 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.485 ' CD2' HD22 ' A' ' 98' ' ' LEU . 11.7 t80 -59.88 -47.61 85.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.579 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -64.82 -13.79 56.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.362 179.678 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -100.73 -20.03 15.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.677 0.275 . . . . 0.0 111.301 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 2.3 tttm -96.67 -34.35 11.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.615 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.541 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 6.6 m-85 -119.63 -17.58 8.6 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.24 32.37 1.0 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.956 0.407 . . . . 0.0 110.781 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 23.0 m -108.54 -175.01 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.62 123.52 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 0.0 110.539 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -121.24 119.17 4.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.404 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.579 ' O ' HD13 ' A' ' 96' ' ' ILE . 70.2 p -117.7 162.28 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 111.112 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.76 HG21 ' HD3' ' A' ' 69' ' ' LYS . 8.5 p -113.36 69.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 89' ' ' HIS . 1.2 pp -76.21 153.68 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.544 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -106.96 71.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.291 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.2 t-80 -52.71 130.86 46.79 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.219 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -15.61 21.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.42 2.08 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.92 -24.6 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -119.32 -53.76 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.93 98.96 2.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.653 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 61.84 86.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.0 111.189 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.78 146.17 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.894 HD12 ' CG1' ' A' ' 73' ' ' VAL . 1.2 mm -84.87 121.84 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.893 0.378 . . . . 0.0 110.231 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.436 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -99.72 112.29 24.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.716 -178.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.817 HD11 HD13 ' A' ' 106' ' ' ILE . 2.8 mt -99.95 157.77 16.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.046 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -94.84 133.16 38.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.87 165.01 40.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.411 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.457 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 30.5 p-10 -65.43 80.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.783 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.49 ' O ' HG22 ' A' ' 106' ' ' ILE . 6.8 mm100 -87.05 -0.05 56.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.732 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -30.25 0.38 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.762 0.315 . . . . 0.0 111.519 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.68 -23.76 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.144 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.66 -41.94 13.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.385 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.817 HD13 HD11 ' A' ' 98' ' ' LEU . 7.9 tp -65.78 -51.06 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.254 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.733 ' HB2' HD22 ' A' ' 121' ' ' LEU . 26.5 p -55.94 -36.73 68.07 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -32.94 67.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.55 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.849 ' CE2' HD13 ' A' ' 113' ' ' ILE . 78.7 t80 -73.14 -46.4 51.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.448 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.1 mp -56.63 -30.21 63.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.76 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 107' ' ' CYS . 57.5 t -91.6 -30.47 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.27 -42.11 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.849 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.8 pt -88.95 -30.03 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.342 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.17 31.81 5.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.656 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.706 HD21 ' HG ' ' A' ' 72' ' ' LEU . 5.7 tp -77.42 -70.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.732 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -92.13 -171.43 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.425 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.02 149.59 33.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.447 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.432 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.0 m-20 -58.41 -30.62 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 110.598 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.1 -27.52 39.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.271 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 42' ' ' ASP . 63.9 mt-30 -84.6 -3.84 58.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.256 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.733 HD22 ' HB2' ' A' ' 107' ' ' CYS . 51.7 mt -57.68 88.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.816 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -101.67 69.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.044 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 123' ' ' VAL . 9.5 p -78.35 114.46 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.426 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 90.7 m-70 -111.84 -34.78 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.363 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.01 -113.61 4.9 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.119 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.946 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.0 mmm . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.27 31.93 21.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.66 105.38 0.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.571 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -84.21 -68.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -102.92 -29.25 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.3 -41.71 98.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 61.16 74.8 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -59.94 179.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -141.59 122.3 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -82.98 -26.41 31.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.9 p -55.6 114.69 1.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.052 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -118.58 138.1 25.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.18 -25.72 39.17 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.492 2.128 . . . . 0.0 112.407 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -23.89 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.5 p -55.03 -30.75 60.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.12 94.43 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mt -115.66 118.15 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -97.93 116.21 29.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.07 -56.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt 62.17 96.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -66.91 129.31 39.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.98 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.5 p 54.49 82.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -86.33 141.19 29.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 61.26 110.27 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.62 -21.16 23.74 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.514 2.143 . . . . 0.0 112.609 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -98.3 -25.69 14.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.879 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.79 112.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.086 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.77 97.73 8.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.97 163.06 23.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 t -70.22 -77.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -176.7 -65.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.84 -96.24 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 109.27 7.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -110.83 72.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.67 36.06 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.82 148.11 68.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.77 -175.52 2.14 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.619 2.213 . . . . 0.0 112.329 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 58.45 168.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.91 -112.89 0.3 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.485 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 9.0 p -120.6 -3.9 9.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.583 0.23 . . . . 0.0 111.385 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.412 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 1.6 mt-10 57.1 18.77 4.27 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.654 0.264 . . . . 0.0 111.448 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.442 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 1.7 t0 47.3 63.48 1.95 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.858 0.361 . . . . 0.0 111.124 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CE1' ' O ' ' A' ' 40' ' ' THR . 19.6 m-30 -65.11 161.75 18.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.192 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.858 HG21 HD21 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -112.52 104.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.02 179.503 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.724 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -68.42 147.6 51.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.949 -179.206 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.724 HD12 ' C ' ' A' ' 45' ' ' HIS . 1.6 mp -146.74 106.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.027 179.016 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -138.56 125.57 21.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.953 HG23 HG22 ' A' ' 56' ' ' THR . 34.7 mt -63.51 158.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.632 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.489 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.6 pt20 -152.08 76.61 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.151 0.5 . . . . 0.0 110.403 178.314 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -76.24 98.12 4.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.791 -179.786 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -56.06 -39.08 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -125.15 -152.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.082 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.55 38.6 3.19 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.548 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' THR . 2.4 ptp180 170.87 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.55 0.175 . . . . 0.0 111.412 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 1.8 mmpt? -68.29 65.15 0.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.981 0.42 . . . . 0.0 110.76 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.953 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -80.6 132.01 35.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.052 -179.594 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.54 HD22 HE21 ' A' ' 97' ' ' GLN . 10.3 mt -130.08 75.62 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.394 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 87.6 m -58.48 113.65 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.666 0.27 . . . . 0.0 110.849 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -96.9 170.66 9.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.955 0.407 . . . . 0.0 111.467 -179.803 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.525 HG22 HG13 ' A' ' 46' ' ' ILE . 70.5 t -137.01 113.93 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.059 179.633 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -101.19 74.75 1.59 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.721 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.25 -54.85 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.62 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.838 HG21 HD11 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -54.7 149.29 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.981 0.419 . . . . 0.0 110.772 179.904 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.36 162.8 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.381 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.9 -11.39 60.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.011 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -95.14 27.57 3.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.811 0.338 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.773 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.8 m-30 -95.34 37.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.669 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 2.7 t0 81.47 -16.39 0.64 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.666 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 tttt 64.83 -74.06 0.05 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.699 0.285 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -60.6 -68.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.704 179.785 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -48.66 -24.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.838 HD11 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -68.88 -77.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.424 -179.802 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.534 HG21 ' N ' ' A' ' 85' ' ' THR . 4.8 p -86.31 -40.52 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.066 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -52.25 -42.25 63.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 111.088 -179.856 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.57 71.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.824 ' CE2' HD22 ' A' ' 98' ' ' LEU . 6.8 t80 -53.94 -46.51 71.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.463 179.376 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 2.4 mttt -66.35 -15.01 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.128 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -97.6 -20.75 17.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.248 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 3.5 tttm -96.15 -48.63 5.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.581 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.56 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 4.1 m-85 -103.34 -20.34 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.317 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.94 34.19 0.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.018 0.437 . . . . 0.0 110.713 -179.315 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 30.6 m -116.52 166.06 12.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.653 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -85.74 141.81 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.681 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.513 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -150.99 152.49 24.29 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.748 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.534 ' N ' HG21 ' A' ' 73' ' ' VAL . 30.2 p -147.24 162.61 38.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 86' ' ' VAL . 9.2 p -115.4 69.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pp -79.14 157.49 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.602 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -109.54 69.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.381 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.1 t-80 -49.51 128.7 18.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.273 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.59 -16.76 23.89 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.47 2.113 . . . . 0.0 112.165 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.87 -26.56 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.438 ' HD2' HG21 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -113.71 -52.93 2.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.39 95.2 2.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.781 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 58.75 92.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 0.0 111.199 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 61' ' ' GLN . 29.5 m -142.14 141.38 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.3 mm -79.68 127.65 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.598 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.54 HE21 HD22 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -104.84 108.87 20.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.445 -179.153 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.01 HD11 HD13 ' A' ' 106' ' ' ILE . 15.0 mt -97.59 156.89 16.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.116 179.098 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -100.75 124.63 46.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.23 167.76 32.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.357 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.47 ' HB2' HD11 ' A' ' 48' ' ' ILE . 8.3 p-10 -67.99 73.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.546 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.658 HE21 ' HE2' ' A' ' 76' ' ' PHE . 7.9 mm100 -86.51 2.9 46.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.735 -179.404 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -43.4 -29.69 0.46 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.703 0.287 . . . . 0.0 111.481 -179.774 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -102.65 -21.61 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.193 179.81 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -86.65 -38.06 17.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.477 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 1.01 HD13 HD11 ' A' ' 98' ' ' LEU . 5.5 tp -69.05 -49.17 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.283 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.615 ' HB2' HD22 ' A' ' 121' ' ' LEU . 25.9 p -53.03 -34.57 57.02 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 178.514 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 112' ' ' GLU . 5.7 mm-40 -65.59 -45.34 83.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.88 178.664 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.78 ' CE1' HG21 ' A' ' 113' ' ' ILE . 35.7 t80 -55.9 -54.0 50.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.191 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.858 HD21 HG21 ' A' ' 44' ' ' ILE . 6.7 mp -54.28 -29.25 46.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.507 HG23 HD21 ' A' ' 121' ' ' LEU . 62.0 t -92.97 -23.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.257 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 108' ' ' GLN . 4.8 mm-40 -85.24 -46.9 10.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 1.02 HD11 HD22 ' A' ' 115' ' ' LEU . 2.4 pt -90.65 16.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.878 -179.21 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 50.88 49.28 42.39 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.562 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.02 HD22 HD11 ' A' ' 113' ' ' ILE . 8.0 tp -94.93 -68.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.913 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.735 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -99.56 178.66 4.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.751 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.61 155.49 18.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.502 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.438 ' HA ' HD12 ' A' ' 121' ' ' LEU . 4.8 m-20 -61.71 -28.15 69.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.28 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.23 -21.29 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.24 179.036 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 42' ' ' ASP . 42.6 mt-30 -91.25 -4.44 55.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.108 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.615 HD22 ' HB2' ' A' ' 107' ' ' CYS . 31.2 mt -62.34 79.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.031 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 120' ' ' GLN . 9.7 mmtt -94.36 73.48 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.32 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 123' ' ' VAL . 12.0 p -89.8 120.37 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.709 -179.358 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.411 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 34.0 m-70 -111.71 -34.33 6.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.465 179.394 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 46.03 61.4 3.97 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.305 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.094 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.788 0.327 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.98 102.83 15.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.28 139.06 14.6 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.1 p -63.34 122.11 15.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -106.25 91.14 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 74.33 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -78.78 108.88 12.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -176.68 85.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -167.25 42.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -116.79 107.01 14.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -108.43 41.46 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.59 97.72 17.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.5 -1.1 9.23 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.628 2.218 . . . . 0.0 112.22 179.368 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.577 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER 55.51 37.98 29.62 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -178.775 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.9 t 52.8 29.06 7.07 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -177.687 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.33 34.11 13.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.077 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 14' ' ' MET . 11.0 mt -73.96 95.01 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.731 179.749 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -109.56 113.48 26.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -172.12 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.8 tp -61.87 -65.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -151.7 95.4 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.41 110.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 22.3 p90 -100.18 123.53 44.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.464 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -137.47 129.81 16.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.926 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.85 -26.75 40.77 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.411 2.074 . . . . 0.0 112.304 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.25 0.35 45.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.411 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 24' ' ' ASP . . . -138.8 92.45 2.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.905 0.383 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -121.75 -42.91 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.9 84.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -145.7 -49.07 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.61 -49.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.26 -50.75 0.75 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.397 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.57 116.11 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -96.92 -37.66 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 mt -106.17 161.97 14.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -146.79 145.69 23.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.43 -64.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.561 2.174 . . . . 0.0 112.293 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 58.04 166.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.14 109.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.632 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 29.3 p -141.43 16.08 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.621 0.248 . . . . 0.0 111.19 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 50.43 23.82 1.39 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.646 179.92 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 44.63 64.46 1.34 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.897 0.379 . . . . 0.0 111.317 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.489 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.1 m-30 -67.12 172.71 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 61' ' ' GLN . 24.0 mm -109.9 98.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.066 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.541 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -72.68 119.74 17.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.284 -178.79 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.691 HD12 ' CG2' ' A' ' 106' ' ' ILE . 40.5 mm -80.55 -96.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.649 178.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 5.1 tpp180 89.39 131.75 0.03 OUTLIER 'General case' 0 C--N 1.346 0.439 0 CA-C-O 121.149 0.499 . . . . 0.0 112.009 179.118 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.909 HD11 ' HA ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -111.26 171.75 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.392 179.545 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.605 ' N ' HG23 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -162.13 99.77 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 178.54 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 4.1 tt0 -106.64 116.1 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.501 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.81 142.99 32.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.389 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.6 t30 61.86 20.47 11.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.887 -179.585 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.57 43.21 99.59 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.81 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -173.73 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 111.57 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 2.4 tptm -70.09 65.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 111.284 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -75.54 143.05 42.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 179.804 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.722 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.9 mt -149.76 101.73 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.706 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.3 m -82.28 116.08 21.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.587 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -91.53 172.18 8.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 179.634 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.505 HG22 HG12 ' A' ' 106' ' ' ILE . 86.1 t -140.14 119.48 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.639 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -116.56 153.29 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.723 179.761 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.53 -25.7 26.87 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.215 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.863 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.0 mm -72.88 146.43 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 111.152 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.635 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -83.53 140.31 32.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -66.52 -12.78 59.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -96.08 30.25 2.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.473 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.863 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.2 m-30 -87.23 34.58 0.69 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.646 0.26 . . . . 0.0 111.465 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' LYS . 11.8 t0 77.91 -11.79 1.16 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.08 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.746 0.308 . . . . 0.0 111.223 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 12.8 mmtp -52.07 -66.03 0.46 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.121 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 1.3 tppt? -46.49 -25.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.577 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HG ' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -68.68 -71.21 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.549 -179.794 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.844 ' CG1' HD12 ' A' ' 96' ' ' ILE . 2.6 m -90.94 -41.29 13.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.598 -179.466 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 19.6 tptt -50.14 -40.69 47.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 110.564 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -73.26 -31.68 64.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.671 179.712 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.785 ' CD2' HD22 ' A' ' 98' ' ' LEU . 15.4 t80 -57.02 -41.35 78.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.619 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 13.4 mtmt -69.8 -14.09 62.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.019 179.587 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -92.03 -19.24 22.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.804 179.757 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -99.09 -45.54 5.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.497 -179.604 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.418 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -119.72 -10.53 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.219 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 64.18 45.23 4.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.008 0.432 . . . . 0.0 110.817 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -113.28 138.14 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.78 104.31 0.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.01 112.55 4.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.223 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.4 p -111.84 150.09 30.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.735 ' HA ' HD13 ' A' ' 96' ' ' ILE . 10.1 p -103.67 65.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.9 pt -68.69 157.24 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 111.486 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -112.61 73.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.21 179.364 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.428 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.5 t-80 -55.73 142.26 63.37 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.404 -179.369 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 88.7 Cg_endo -81.49 -24.45 4.35 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.689 2.259 . . . . 0.0 112.577 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 11.5 mt-10 -82.95 -21.19 34.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.073 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.4 ' HD2' HG21 ' A' ' 95' ' ' VAL . 1.5 m-85 -119.0 -50.41 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.0 97.16 1.69 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.636 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.79 87.72 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.62 HG11 ' HG3' ' A' ' 61' ' ' GLN . 17.1 m -141.78 137.94 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.728 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.844 HD12 ' CG1' ' A' ' 73' ' ' VAL . 6.9 mm -71.53 149.87 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.48 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.722 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -129.76 86.86 2.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.827 0.346 . . . . 0.0 111.235 -179.419 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.042 HD11 HD13 ' A' ' 106' ' ' ILE . 7.1 mt -70.55 157.53 37.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.414 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.68 144.89 25.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.664 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.54 176.12 38.83 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.883 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.909 ' HA ' HD11 ' A' ' 48' ' ' ILE . 25.7 p-10 -79.64 92.82 5.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.049 0.452 . . . . 0.0 110.761 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.4 mp0 -105.21 10.23 33.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -27.2 2.14 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.76 0.314 . . . . 0.0 111.197 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.58 -25.13 14.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.165 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -84.0 -39.82 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 1.042 HD13 HD11 ' A' ' 98' ' ' LEU . 7.7 tp -62.17 -51.4 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.108 -179.703 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.544 ' N ' HG23 ' A' ' 106' ' ' ILE . 1.3 m -57.68 -33.31 68.22 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.302 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.08 -32.42 65.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.576 178.653 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.922 ' CE2' HD13 ' A' ' 113' ' ' ILE . 79.5 t80 -74.2 -47.76 33.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.602 179.534 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.3 mp -56.63 -29.79 62.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.799 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 107' ' ' CYS . 61.7 t -91.08 -29.36 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.58 -46.26 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.792 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.922 HD13 ' CE2' ' A' ' 109' ' ' PHE . 10.1 pt -85.2 -19.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.394 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.44 31.52 16.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.628 -179.104 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.907 HD22 HD11 ' A' ' 113' ' ' ILE . 5.8 tp -76.41 -69.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.928 -179.72 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.574 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -92.91 -169.52 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 144.7 43.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.474 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 2.9 p30 -53.02 -30.49 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.937 -179.808 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -79.73 -28.44 40.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.332 179.52 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.489 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 76.7 mt-30 -80.41 -11.09 59.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.348 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 65.2 mt -50.62 89.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 111.213 -179.486 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -110.74 81.95 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.411 179.786 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.9 p -91.7 122.63 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.797 -179.351 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.541 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 19.6 m-70 -132.4 37.74 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.137 179.343 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.578 ' HA2' ' HB ' ' A' ' 48' ' ' ILE . . . -53.74 91.51 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.898 -0.667 . . . . 0.0 113.059 -179.477 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.443 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.035 179.609 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.888 0.375 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -109.37 -37.1 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.37 121.87 4.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.56 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.3 t -167.85 154.13 7.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -148.84 139.32 22.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -149.72 156.37 41.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -171.26 43.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.36 77.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -151.8 136.42 17.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -179.21 0.39 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.8 p -141.95 123.0 14.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.995 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 60.41 97.85 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.59 -0.55 8.98 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.643 2.229 . . . . 0.0 112.238 179.169 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.557 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER 55.32 37.33 28.74 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 -178.756 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.75 29.16 7.11 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -177.7 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.37 34.87 15.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.162 -0.927 . . . . 0.0 109.983 -178.622 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 14' ' ' MET . 10.6 mt -72.9 98.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 59.63 176.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -103.26 -17.81 15.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.192 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.73 169.91 0.08 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 111.145 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -167.31 83.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -59.16 114.2 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.72 137.19 57.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 10.2 m-20 61.13 64.06 2.3 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.47 -26.4 63.21 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.585 2.19 . . . . 0.0 112.259 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.71 37.22 2.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.612 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . . . -162.75 117.75 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -84.49 72.27 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.35 157.34 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.28 98.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -75.63 178.26 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -116.45 25.74 8.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.63 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -106.73 -46.29 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -142.04 99.96 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.81 90.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 mt -60.0 139.99 90.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.26 -160.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.495 2.13 . . . . 0.0 112.284 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 63.31 89.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.67 ' O ' HG23 ' A' ' 40' ' ' THR . . . -169.8 96.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.334 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER 177.49 -31.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.614 0.245 . . . . 0.0 111.115 -179.914 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.28 9.0 6.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.428 -179.823 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 1.0 OUTLIER 52.94 59.16 4.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.125 0.488 . . . . 0.0 110.976 179.787 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' CE1' ' O ' ' A' ' 40' ' ' THR . 20.6 m-30 -60.73 167.09 2.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.539 HD12 HD13 ' A' ' 63' ' ' ILE . 35.2 mm -117.05 100.13 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.388 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.508 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -74.73 132.05 41.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.109 -178.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.702 HD12 ' CG2' ' A' ' 106' ' ' ILE . 27.9 mm -93.41 -99.72 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.15 178.746 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 91.28 130.14 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.336 0.588 . . . . 0.0 112.22 178.703 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.899 HD11 ' HA ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -105.79 171.94 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.865 179.097 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.61 ' N ' HG23 ' A' ' 48' ' ' ILE . 2.4 pt20 -161.32 99.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.137 0.494 . . . . 0.0 111.098 178.668 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.536 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 3.8 tt0 -107.35 94.83 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.685 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -53.64 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -81.83 -150.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.637 179.08 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.78 35.29 4.13 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.302 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' THR . 8.2 ptm180 178.86 -27.48 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.42 67.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.805 0.336 . . . . 0.0 111.288 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -85.4 163.1 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.933 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.833 HD23 ' O ' ' A' ' 98' ' ' LEU . 1.7 mt -162.01 93.92 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.5 m -72.53 117.77 14.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.069 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -99.48 162.92 12.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.962 0.41 . . . . 0.0 111.203 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 106' ' ' ILE . 54.7 t -133.04 114.93 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.061 179.69 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.675 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -114.92 140.27 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.449 179.744 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.44 -29.89 7.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.898 -179.639 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.847 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.6 mm -64.89 146.96 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 110.621 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.803 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -67.58 162.04 24.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.253 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.59 20.23 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.81 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -142.31 37.72 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.814 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.847 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.5 m-30 -86.92 35.75 0.7 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t70 76.24 -5.68 2.14 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 tttp 58.43 -80.52 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.724 0.297 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ASP . 24.9 mttm -50.15 -60.94 2.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.957 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -47.67 -24.81 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.434 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.739 HD13 HG13 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -70.08 -69.73 0.33 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.525 -179.771 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.917 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -86.13 -41.52 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.404 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 18.2 tttp -48.03 -40.96 24.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.024 0.44 . . . . 0.0 110.65 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -33.86 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.622 179.476 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.564 ' CZ ' HD23 ' A' ' 98' ' ' LEU . 9.4 t80 -60.86 -56.51 20.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 34.0 mtmt -57.03 -20.51 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.299 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -93.97 -21.85 18.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.221 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.419 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 1.4 tttm -96.42 -31.61 12.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.525 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 17.7 m-85 -120.27 -15.46 8.63 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.179 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.36 29.58 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 0.0 110.716 -179.582 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.0 m -102.78 -162.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.6 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.03 119.79 33.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 110.334 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.476 ' HA2' HD12 ' A' ' 98' ' ' LEU . . . -114.46 114.43 3.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.334 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.621 ' O ' HD13 ' A' ' 96' ' ' ILE . 18.2 p -114.96 158.57 21.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 0.0 111.18 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.64 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.6 p -111.76 105.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -117.46 154.27 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.389 -179.853 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.7 74.77 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.012 0.434 . . . . 0.0 110.45 179.351 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.2 t-80 -55.76 138.56 70.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.359 -179.752 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.69 -19.6 9.81 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.715 2.276 . . . . 0.0 112.285 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.454 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -81.94 -25.02 35.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.986 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.501 ' HD2' HG21 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -118.86 -52.01 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.59 90.02 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.561 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 71.92 91.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 111.008 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.675 HG12 ' HA ' ' A' ' 61' ' ' GLN . 16.7 m -143.59 148.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.917 HD12 ' CG1' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -83.93 126.17 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.369 179.807 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.506 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -100.67 109.39 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.907 -178.951 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.833 ' O ' HD23 ' A' ' 57' ' ' LEU . 2.7 mp -91.93 164.43 13.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.594 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.3 140.36 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 111.19 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.16 -169.9 54.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.407 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.899 ' HA ' HD11 ' A' ' 48' ' ' ILE . 6.6 p-10 -90.22 87.03 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.081 0.467 . . . . 0.0 110.584 179.753 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -105.22 4.02 30.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.138 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.429 ' HG2' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -48.02 -28.02 2.57 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.785 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.13 -27.0 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.972 179.749 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -86.44 -32.12 21.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.115 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.702 ' CG2' HD12 ' A' ' 46' ' ' ILE . 9.2 tp -65.44 -50.28 73.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.041 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.728 ' HB2' HD22 ' A' ' 121' ' ' LEU . 6.3 p -57.12 -36.3 70.51 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.252 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -31.75 64.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.4 178.514 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.702 ' CE1' HG21 ' A' ' 113' ' ' ILE . 67.7 t80 -73.5 -44.15 58.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.352 179.312 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.684 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 3.8 mp -58.98 -29.57 67.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.781 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 107' ' ' CYS . 46.9 t -92.38 -29.35 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.46 -41.48 72.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.894 HD11 HD22 ' A' ' 115' ' ' LEU . 8.9 pt -89.85 -25.56 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.179 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.44 28.82 8.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.798 -179.274 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.894 HD22 HD11 ' A' ' 113' ' ' ILE . 4.3 tp -76.79 -71.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.802 -179.839 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.684 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -91.35 -178.35 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 179.563 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.19 153.77 27.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.673 179.621 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.428 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 6.7 p-10 -59.64 -29.06 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -23.72 39.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.281 179.25 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 42' ' ' ASP . 43.5 mt-30 -91.22 -3.52 56.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.879 179.45 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.728 HD22 ' HB2' ' A' ' 107' ' ' CYS . 29.4 mt -57.32 86.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.985 0.421 . . . . 0.0 111.029 -179.693 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 120' ' ' GLN . 14.0 mmtt -109.21 80.2 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.373 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 123' ' ' VAL . 12.7 p -92.78 125.83 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.863 -179.245 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.508 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 12.9 m-70 -136.27 42.6 2.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.539 179.492 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.491 ' HA2' ' HB ' ' A' ' 48' ' ' ILE . . . -58.32 87.75 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.805 -179.544 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.999 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 ttm . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.809 0.337 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.2 mmm-85 -65.36 -35.95 82.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.82 147.05 5.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -97.95 40.21 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 -73.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -172.3 -44.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -64.91 168.42 6.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.32 -64.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.08 -178.46 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -59.53 -60.52 3.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.982 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.27 102.26 11.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -60.22 116.13 16.25 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.07 -27.43 21.77 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.416 2.077 . . . . 0.0 112.375 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.31 -9.29 59.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.369 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.7 p -65.69 -42.7 90.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 0.0 110.971 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.65 75.35 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 mt -91.54 150.4 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -100.07 97.69 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -149.9 77.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' C ' HD13 ' A' ' 20' ' ' LEU . 1.1 tm? -169.66 81.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -145.13 70.35 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -130.18 61.0 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.55 138.45 54.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 t70 60.31 87.41 0.14 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.04 -22.33 38.62 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.611 2.207 . . . . 0.0 112.362 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -113.54 46.25 1.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.958 -179.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.45 78.57 4.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -84.24 141.78 30.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.58 100.72 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.053 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -169.8 -59.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.851 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -153.25 120.84 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.5 -73.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.79 70.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -109.11 44.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.4 tp -106.91 86.63 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 mt 61.74 152.97 0.11 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.22 117.82 3.46 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.677 2.251 . . . . 0.0 112.442 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.75 130.4 38.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.93 28.17 35.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -95.82 -29.93 13.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 63.31 13.85 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.547 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 46.96 61.43 2.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.904 0.383 . . . . 0.0 111.24 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.478 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.0 m-30 -61.5 175.74 0.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.461 HG12 ' HB3' ' A' ' 120' ' ' GLN . 29.7 mm -114.64 101.06 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.272 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.483 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -64.5 143.07 58.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.186 -179.003 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.578 HG13 HG22 ' A' ' 60' ' ' VAL . 1.2 mp -137.21 103.58 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.267 178.759 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.9 mmm-85 -123.32 138.31 54.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 0.0 111.847 -178.783 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.696 HG23 HG22 ' A' ' 56' ' ' THR . 20.0 mt -92.84 154.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.855 179.379 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.422 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.3 pt20 -139.22 92.43 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.487 179.163 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.548 ' HG3' HG23 ' A' ' 56' ' ' THR . 3.0 tt0 -92.96 116.63 29.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.561 -179.242 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.08 126.12 37.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.169 179.307 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.71 21.64 11.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.733 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.65 35.53 92.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.733 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' THR . 50.2 mtt-85 -153.57 -64.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.681 0.24 . . . . 0.0 111.392 179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.06 81.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.591 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.734 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -83.91 140.68 31.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.398 -179.419 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.823 HD23 ' HG2' ' A' ' 97' ' ' GLN . 1.4 mp -145.74 116.29 7.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.198 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -92.47 128.66 38.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 111.347 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.891 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -109.69 149.66 29.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.06 179.715 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.578 HG22 HG13 ' A' ' 46' ' ' ILE . 71.4 t -123.8 123.82 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.65 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.739 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -114.74 139.83 49.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.527 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.03 -28.3 8.09 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.079 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.909 HG23 ' CE2' ' A' ' 67' ' ' TYR . 4.6 mm -61.16 147.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.691 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.674 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -90.28 129.29 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.486 -179.352 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -57.93 -21.45 43.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.558 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -26.22 68.21 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.909 ' CE2' HG23 ' A' ' 63' ' ' ILE . 7.0 m-30 -48.45 172.43 0.01 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.811 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' LEU . 10.3 t0 -80.05 62.56 4.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.079 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' HA ' ' HB2' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -30.37 -55.58 0.19 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.22 -179.446 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -48.32 -48.14 36.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HA ' ' HB3' ' A' ' 74' ' ' LYS . 17.4 mttm -89.61 -14.96 33.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.529 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.908 HD21 HD21 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -58.44 -45.54 88.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.762 0.315 . . . . 0.0 111.053 -179.7 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.891 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -101.43 -30.89 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.153 179.613 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 71' ' ' LYS . 0.7 OUTLIER -60.22 -42.94 96.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.499 179.821 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.3 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.284 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.681 ' CD2' HD22 ' A' ' 98' ' ' LEU . 13.0 t80 -60.36 -43.71 96.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.379 179.35 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -65.64 -15.47 62.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.307 179.823 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -95.72 -18.93 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.358 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -103.97 -37.62 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.671 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 6.1 m-85 -114.45 -16.82 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.479 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 67.47 35.28 4.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.985 0.421 . . . . 0.0 110.636 -179.576 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.1 m -113.05 157.24 21.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.717 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.28 113.73 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.52 113.34 3.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.296 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 96' ' ' ILE . 30.8 p -118.71 155.98 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 111.273 -179.644 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.59 ' HA ' HD13 ' A' ' 96' ' ' ILE . 13.9 p -103.39 121.47 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.533 HG13 HG23 ' A' ' 95' ' ' VAL . 2.3 pt -128.7 147.24 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.826 0.346 . . . . 0.0 111.342 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -101.9 74.18 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.051 0.453 . . . . 0.0 110.259 179.317 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.444 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.6 t-80 -53.43 142.91 38.45 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.522 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 86.4 Cg_endo -81.61 -27.63 2.58 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.682 2.255 . . . . 0.0 112.418 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.34 -20.36 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.255 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.413 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 1.5 m-85 -119.44 -49.8 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.165 -179.629 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.41 101.8 1.3 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.649 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 64.94 94.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 111.228 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.739 HG12 ' HA ' ' A' ' 61' ' ' GLN . 28.8 m -144.7 151.31 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.891 HD12 ' CG1' ' A' ' 73' ' ' VAL . 1.5 mm -96.46 124.97 49.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.252 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.891 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.2 tt0 -100.49 110.1 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.81 -179.086 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.922 HD11 HD13 ' A' ' 106' ' ' ILE . 3.6 mt -93.59 159.67 15.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.707 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.74 143.16 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.941 0.4 . . . . 0.0 111.266 -179.604 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.94 169.91 25.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.428 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.432 ' HA ' HD13 ' A' ' 48' ' ' ILE . 4.4 p-10 -68.81 92.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.618 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.461 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -106.82 6.78 29.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.581 -179.637 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -44.83 -29.56 0.82 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.709 0.29 . . . . 0.0 111.592 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -101.52 -20.8 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.268 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -87.93 -38.23 15.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.441 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.922 HD13 HD11 ' A' ' 98' ' ' LEU . 5.4 tp -66.73 -49.92 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.374 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.78 ' HB2' HD22 ' A' ' 121' ' ' LEU . 7.2 p -53.12 -34.42 56.63 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.592 0.711 . . . . 0.0 109.173 178.747 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 112' ' ' GLU . 5.7 mm-40 -66.42 -51.5 56.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.978 178.786 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.799 ' CE2' HD13 ' A' ' 113' ' ' ILE . 67.3 t80 -52.57 -54.38 33.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.267 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.707 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 6.0 mp -54.44 -28.77 46.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.021 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.562 HG21 HD11 ' A' ' 121' ' ' LEU . 62.0 t -93.32 -24.67 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.201 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 108' ' ' GLN . 3.5 mm-40 -79.02 -45.77 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.871 HD11 HD22 ' A' ' 115' ' ' LEU . 12.5 pt -83.79 -15.24 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.441 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.69 32.31 18.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.56 -179.172 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.908 HD21 HD21 ' A' ' 72' ' ' LEU . 6.1 tp -80.84 -74.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.659 0.266 . . . . 0.0 111.143 -179.509 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.707 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -83.76 -163.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.322 179.545 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.479 ' HB2' ' NE2' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -120.76 146.9 46.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.324 179.352 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -57.91 -32.02 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 0.0 110.526 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.0 -27.26 43.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.154 179.122 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.479 ' NE2' ' HB2' ' A' ' 117' ' ' LYS . 74.7 mt-30 -81.48 -11.29 59.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.174 179.586 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 107' ' ' CYS . 64.1 mt -52.17 91.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.042 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.07 75.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.962 -179.822 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.5 p -86.7 118.84 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.427 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 69.4 m-70 -114.94 -31.16 6.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.366 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 62.57 -115.41 7.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.277 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.759 0.314 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -140.39 70.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.12 -65.17 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.531 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.1 p -139.35 -175.86 4.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 59.33 88.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.82 -175.21 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -110.17 105.14 14.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -136.48 31.7 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -171.69 119.34 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -98.69 69.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.5 m -97.02 -13.25 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.277 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 63.59 65.12 1.28 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.868 0.366 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.77 -25.36 60.46 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.585 2.19 . . . . 0.0 112.26 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.6 mtm -56.47 -28.63 60.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.1 p -58.83 -29.58 67.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.65 53.01 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.3 mt -142.76 59.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -70.83 -165.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 71.43 -63.6 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 mp 63.26 55.71 1.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.983 0.42 . . . . 0.0 110.762 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -89.31 174.33 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.809 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -159.99 -174.82 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -157.68 134.55 9.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -134.13 64.6 66.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.84 -27.63 54.11 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -111.13 -81.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.889 -179.899 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 26' ' ' PHE . . . 177.0 122.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -96.9 -65.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.9 91.61 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.77 148.38 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -171.23 35.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.772 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.65 -132.73 8.84 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.402 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -170.01 36.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.99 85.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 tp -118.32 70.52 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 mp -71.54 157.69 89.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -51.72 135.46 49.31 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.661 2.24 . . . . 0.0 112.288 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -109.46 150.32 28.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -143.36 -94.94 0.2 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.621 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.419 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 6.0 p -106.44 -13.48 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.596 0.236 . . . . 0.0 111.394 -179.881 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 64.66 16.27 10.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.652 0.263 . . . . 0.0 111.315 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 t0 53.57 77.63 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.916 0.389 . . . . 0.0 110.547 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.572 ' O ' HD13 ' A' ' 44' ' ' ILE . 13.9 m-30 -82.59 173.96 11.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.602 -179.278 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 43' ' ' TYR . 50.6 mm -131.49 82.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.322 179.406 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.553 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -52.79 139.17 27.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.524 -178.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.673 HD12 ' CG2' ' A' ' 106' ' ' ILE . 24.4 mm -99.68 -99.73 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.929 178.544 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' N ' HG22 ' A' ' 46' ' ' ILE . 1.3 tmt_? 86.58 123.38 0.03 OUTLIER 'General case' 0 C--N 1.345 0.401 0 CA-C-O 121.182 0.515 . . . . 0.0 112.285 178.647 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.518 ' CG2' HG22 ' A' ' 56' ' ' THR . 8.4 mt -105.26 155.54 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.281 179.087 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.2 pt20 -138.26 99.14 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.918 0.39 . . . . 0.0 110.684 179.497 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.466 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 2.1 tt0 -97.52 113.2 24.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.221 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.23 121.36 36.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.38 179.666 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.5 t30 73.46 22.69 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.54 44.97 97.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.545 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -171.74 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -72.48 63.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.683 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.518 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -72.7 134.27 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 98' ' ' LEU . 2.4 mt -144.17 99.39 3.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.5 m -72.65 135.44 45.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -117.22 153.59 32.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 111.315 179.846 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.486 ' CG2' HG12 ' A' ' 106' ' ' ILE . 61.8 t -123.4 121.51 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.095 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.592 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -118.42 140.06 50.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.493 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.47 -24.83 13.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.274 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.859 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -69.08 146.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -80.28 141.6 35.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -68.97 -10.64 58.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.19 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -94.31 26.27 3.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.488 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.859 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.5 m-30 -87.97 31.78 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.562 0.22 . . . . 0.0 111.275 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t70 78.19 -11.5 1.2 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.733 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.9 -79.73 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.661 0.267 . . . . 0.0 111.259 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -52.37 -66.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.123 -179.823 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -47.45 -26.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.434 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 115' ' ' LEU . 1.0 OUTLIER -63.49 -69.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.214 -179.934 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.59 HG21 ' C ' ' A' ' 84' ' ' GLY . 8.1 p -82.7 -38.36 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.645 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.01 -43.95 40.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.97 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -62.18 -31.92 72.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 179.513 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 98' ' ' LEU . 5.9 t80 -60.64 -45.63 93.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.493 179.617 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -10.39 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -105.71 -20.45 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.679 0.276 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.475 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 tmtm? -95.54 -39.02 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.299 -179.771 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.554 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 11.1 m-85 -112.38 -21.41 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.445 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.8 33.3 0.62 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.892 0.377 . . . . 0.0 110.591 -179.459 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.1 m -104.81 -167.3 1.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.75 119.22 29.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.654 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.59 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -125.94 139.96 11.81 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.658 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.3 p -123.3 177.54 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 111.26 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.698 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.6 p -124.87 84.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.056 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.75 153.99 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.05 0.452 . . . . 0.0 111.533 -179.592 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -105.12 74.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.33 179.349 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.44 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.5 t-80 -56.3 143.05 66.43 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.381 -179.476 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 84.2 Cg_endo -82.16 -27.46 2.37 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.639 2.226 . . . . 0.0 112.307 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -80.94 -21.53 40.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.224 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.428 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 1.3 m-85 -119.31 -47.64 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.12 -179.613 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.73 104.63 1.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.672 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 57.29 93.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 61' ' ' GLN . 31.2 m -145.04 144.12 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.522 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -73.71 157.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.445 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.435 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -135.15 97.47 3.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.786 0.327 . . . . 0.0 111.473 -179.221 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.05 HD11 HD13 ' A' ' 106' ' ' ILE . 3.6 mt -85.93 156.38 20.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.328 179.135 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -91.77 143.78 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.178 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.68 176.73 45.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.23 84.06 5.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 110.592 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.489 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.6 mp0 -96.03 12.37 30.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.161 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -47.7 -28.58 2.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.45 -21.18 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -89.2 -37.3 15.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.149 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 1.05 HD13 HD11 ' A' ' 98' ' ' LEU . 4.8 tp -63.86 -52.0 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.027 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.727 ' HB2' HD22 ' A' ' 121' ' ' LEU . 11.2 p -57.77 -32.5 67.56 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.097 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -70.35 -37.05 74.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.464 178.601 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.864 ' CE2' HD13 ' A' ' 113' ' ' ILE . 73.8 t80 -69.17 -47.51 64.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.236 179.092 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 116' ' ' ALA . 5.6 mp -52.61 -33.01 44.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.891 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.87 -37.47 8.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 109.785 179.247 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 109' ' ' PHE . 1.2 tt0 -61.47 -26.48 67.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.011 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.881 HD11 HD22 ' A' ' 115' ' ' LEU . 7.0 pt -109.86 -27.61 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 111.533 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 101.3 23.19 9.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.985 -179.419 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.881 HD22 HD11 ' A' ' 113' ' ' ILE . 3.3 tp -73.73 -72.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.74 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.665 ' CB ' HD23 ' A' ' 110' ' ' LEU . . . -95.16 166.27 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' CB ' ' HG3' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -100.88 152.39 20.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.453 179.699 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.7 p-10 -57.33 -27.17 61.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.77 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 -26.16 41.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.455 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 44.2 mt-30 -85.39 -15.54 42.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.145 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.727 HD22 ' HB2' ' A' ' 107' ' ' CYS . 50.5 mt -49.86 110.14 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.633 -179.379 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.473 ' HG3' ' HB3' ' A' ' 43' ' ' TYR . 1.3 mmmm -132.83 80.41 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.742 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.469 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 10.2 p -87.38 121.55 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 -179.368 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.553 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 43.5 m-70 -123.46 75.01 1.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.123 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.76 120.64 23.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.247 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.295 -0.859 . . . . 0.0 111.372 -179.743 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.844 0.354 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -115.45 31.39 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.52 -153.47 13.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 p -60.46 124.64 20.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -158.85 126.72 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 129.88 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -85.65 139.34 31.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.0 171.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.3 m80 59.98 65.4 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -107.88 -33.65 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.39 176.95 2.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -156.3 82.17 3.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.76 -28.8 39.66 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.575 2.183 . . . . 0.0 112.249 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.546 ' HA ' HD11 ' A' ' 17' ' ' ILE . 1.2 ttt -63.11 -21.58 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.9 p -53.06 -29.46 30.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -152.3 92.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 14' ' ' MET . 24.0 mt -106.39 142.29 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.866 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -115.15 117.73 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -163.53 83.79 0.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' C ' ' CG ' ' A' ' 21' ' ' HIS . 4.8 mp -96.34 -19.58 19.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.443 ' CG ' ' C ' ' A' ' 20' ' ' LEU . 1.2 p-80 44.15 91.87 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.365 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -121.84 176.1 5.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.931 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -101.12 172.93 6.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.742 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.35 83.59 0.31 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.795 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.434 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 31.7 Cg_exo -59.58 -32.63 96.38 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.55 2.167 . . . . 0.0 112.395 -179.865 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE1' ' HB2' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -126.13 -52.48 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.788 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.46 38.22 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.057 -179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -61.68 125.84 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.82 121.88 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.037 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.65 75.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -92.34 -38.14 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 126.98 61.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.467 ' HA ' HD21 ' A' ' 36' ' ' LEU . 1.7 m-20 -127.7 30.41 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.88 -38.38 23.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.0 tp -125.23 97.47 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 33' ' ' ASP . 5.8 mt -100.42 151.46 37.56 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.82 87.02 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.652 2.235 . . . . 0.0 112.303 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.8 94.07 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.26 -70.65 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.618 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -106.25 -33.81 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 111.003 -179.906 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 54.75 21.65 3.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.477 -179.904 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.454 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 0.5 OUTLIER 47.76 61.25 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.078 0.466 . . . . 0.0 111.028 179.859 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 41' ' ' GLU . 18.6 m-30 -66.75 166.06 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.038 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.554 HD13 ' HA3' ' A' ' 62' ' ' GLY . 49.3 mm -118.13 106.85 20.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.204 179.425 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.76 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -67.05 143.47 56.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.375 -178.819 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.76 HD12 ' O ' ' A' ' 45' ' ' HIS . 1.6 mp -140.26 101.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.114 178.647 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -126.91 149.69 49.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.302 0.572 . . . . 0.0 112.259 -178.612 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.816 HG23 HG22 ' A' ' 56' ' ' THR . 40.3 mt -101.87 153.43 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.448 179.223 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.484 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -132.9 82.73 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.212 0.53 . . . . 0.0 110.416 178.93 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.725 ' CG ' HG23 ' A' ' 56' ' ' THR . 1.7 tt0 -96.52 125.85 41.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.733 -179.681 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' ARG . 31.9 mtp85 -91.58 121.42 33.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.067 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.2 t30 55.57 26.5 9.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.97 -4.96 84.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.387 -179.596 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 4.9 mtp180 -119.86 -171.13 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.709 0.29 . . . . 0.0 110.694 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.83 78.27 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.19 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.816 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -90.48 131.69 36.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.514 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 98' ' ' LEU . 4.9 mt -137.22 94.29 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.027 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 53.3 m -68.61 142.37 55.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.397 -179.741 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.42 ' CG2' ' HG3' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -125.87 143.88 50.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.742 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.518 ' CG2' HG12 ' A' ' 106' ' ' ILE . 59.3 t -118.84 124.57 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.499 ' HG3' ' HB3' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -118.9 138.54 52.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.453 179.69 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.554 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 115.63 -26.82 8.74 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.104 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.876 HG23 ' CE2' ' A' ' 67' ' ' TYR . 11.3 mm -63.19 144.08 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.604 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -85.3 131.7 34.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.242 -179.705 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -60.94 -19.07 60.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.73 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.18 -21.26 65.8 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.876 ' CE2' HG23 ' A' ' 63' ' ' ILE . 6.8 m-30 -48.9 172.78 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.744 0.306 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -52.56 -26.69 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -179.834 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.69 -76.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.756 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -61.2 2.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.322 179.42 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -22.4 63.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.681 179.338 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.754 ' HG ' HD21 ' A' ' 115' ' ' LEU . 1.8 tt -56.12 -64.24 0.92 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.88 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -86.75 -27.62 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.27 179.829 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -43.18 85.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.921 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.51 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -67.18 -31.96 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.413 ' HE2' HE21 ' A' ' 102' ' ' GLN . 6.4 t80 -59.12 -54.94 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 179.85 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -59.26 -18.06 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.408 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -96.31 -20.31 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.606 0.241 . . . . 0.0 111.418 -179.684 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -101.93 -31.0 10.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.606 -179.505 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.494 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 29.6 m-85 -115.75 -17.0 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.492 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 72.09 28.01 2.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.586 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 22.9 m -104.29 -166.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.67 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.08 118.14 30.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.397 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.11 118.48 4.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.389 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.5 p -125.3 143.6 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 111.194 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.629 HG13 HG12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -97.92 101.94 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 179.655 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.706 HD12 ' HB2' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -113.65 154.92 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.941 0.4 . . . . 0.0 111.296 -179.818 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -97.44 75.01 2.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.346 179.407 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.416 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -49.64 140.37 14.56 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.38 -179.672 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.43 -21.02 10.57 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.532 2.155 . . . . 0.0 112.24 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.3 OUTLIER -80.89 -23.57 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.496 ' CD2' HG11 ' A' ' 95' ' ' VAL . 1.3 m-85 -119.06 -49.1 2.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.17 -179.47 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 94' ' ' GLU . . . 116.16 -15.74 15.6 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.946 179.809 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 93' ' ' GLY . 15.0 tt0 177.15 111.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.68 0.276 . . . . 0.0 110.581 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.587 ' O ' HD13 ' A' ' 87' ' ' ILE . 29.9 m -155.54 155.99 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 0.0 111.359 -179.778 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.88 HD12 ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -90.98 122.07 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.063 179.402 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.706 ' HB2' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -96.66 116.53 29.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.718 -179.047 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.764 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.2 mt -103.43 158.52 16.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.808 178.801 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.88 130.83 44.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.893 0.377 . . . . 0.0 110.786 179.735 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.45 162.11 36.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.176 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.422 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 16.7 p30 -67.46 77.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.516 ' O ' HG22 ' A' ' 106' ' ' ILE . 7.1 mm100 -84.7 1.55 45.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.466 -179.639 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -29.23 0.27 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.775 0.322 . . . . 0.0 111.635 -179.828 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -23.08 13.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.222 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 108' ' ' GLN . 16.2 m-80 -89.92 -37.82 14.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.433 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.673 HD13 HD11 ' A' ' 98' ' ' LEU . 6.6 tp -63.56 -49.8 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.68 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.646 ' HB2' HD22 ' A' ' 121' ' ' LEU . 5.5 p -55.32 -33.36 63.25 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.101 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 105' ' ' ASN . 28.1 mm-40 -68.9 -48.08 64.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.714 178.483 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.9 ' CE2' HD13 ' A' ' 113' ' ' ILE . 74.7 t80 -59.76 -50.49 73.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.704 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 6.6 mp -53.97 -30.32 46.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 107' ' ' CYS . 86.1 t -93.27 -27.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.163 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.22 -41.36 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.922 HD11 HD22 ' A' ' 115' ' ' LEU . 11.2 pt -88.84 -26.33 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.42 -179.874 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.01 30.9 6.48 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 -179.456 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 113' ' ' ILE . 3.5 tp -80.32 -70.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 110.633 -179.822 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -91.33 -167.59 1.84 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.513 179.404 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 155.72 45.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.627 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.425 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 2.7 p30 -62.44 -28.26 69.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.983 0.42 . . . . 0.0 110.362 179.806 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -79.48 -21.81 44.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.117 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 42' ' ' ASP . 36.1 mt-30 -97.83 -1.81 42.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.082 179.654 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.646 HD22 ' HB2' ' A' ' 107' ' ' CYS . 21.1 mt -59.22 87.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.791 0.329 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -104.28 73.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.757 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.1 p -78.33 122.03 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.313 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.472 ' CD2' ' CE1' ' A' ' 45' ' ' HIS . 90.2 m-70 -126.36 63.7 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -54.66 120.16 15.57 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.241 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.412 ' CZ ' ' OE1' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.209 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.844 0.354 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.6 82.64 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.89 -107.19 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 t -150.73 -171.19 3.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -139.49 108.58 6.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -147.74 37.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 62.74 74.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -107.05 29.79 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.802 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -86.21 157.87 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.955 -179.871 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -98.26 175.2 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.89 -46.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -134.29 82.72 46.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.1 -29.37 27.11 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.565 2.177 . . . . 0.0 112.243 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 mtm -58.33 -24.33 59.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -41.85 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.38 88.74 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.044 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.6 mt -100.08 116.85 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -61.86 143.86 55.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -168.77 105.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 tp -170.5 106.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.7 -53.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.7 p -70.14 123.39 21.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -89.63 116.77 28.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -107.28 103.62 49.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -55.21 -22.12 31.21 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.441 2.094 . . . . 0.0 112.468 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -97.8 38.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -166.43 42.57 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -108.8 -41.39 4.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.83 153.53 26.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 t -175.96 131.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -173.91 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.979 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.05 -40.58 1.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.581 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -111.79 41.75 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.783 0.325 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -87.59 55.79 3.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.24 75.97 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.9 mt 60.14 160.61 0.1 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.4 140.02 63.98 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.06 103.58 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.1 -137.59 9.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.61 79.9 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 43' ' ' TYR . 16.0 mt-10 -126.95 -31.86 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.2 68.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.937 0.399 . . . . 0.0 110.694 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.407 ' HB2' ' HG3' ' A' ' 122' ' ' LYS . 9.4 m-85 -71.72 175.57 5.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.187 -179.662 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.463 HG12 ' HB3' ' A' ' 120' ' ' GLN . 24.1 mm -110.4 103.53 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.727 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -74.51 131.76 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.825 -179.394 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.877 HG13 HG13 ' A' ' 123' ' ' VAL . 27.4 mm -92.19 -98.95 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.157 178.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.8 ttt180 85.14 126.59 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.286 0.565 . . . . 0.0 112.355 178.733 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.821 HG23 HG22 ' A' ' 56' ' ' THR . 3.1 mt -103.38 157.83 5.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.218 179.036 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.7 pt20 -140.76 94.83 2.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.999 0.428 . . . . 0.0 111.076 179.478 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.497 ' CG ' HG23 ' A' ' 56' ' ' THR . 1.0 OUTLIER -95.99 114.74 26.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.678 179.825 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -55.41 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.597 -179.401 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.72 22.68 9.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.709 0.29 . . . . 0.0 110.985 -179.754 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.1 14.35 60.69 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.299 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.46 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -139.82 -45.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.695 0.284 . . . . 0.0 111.046 -179.901 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -74.75 66.34 1.47 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.033 0.444 . . . . 0.0 110.423 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.821 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -74.18 143.0 45.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.209 -179.469 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 98' ' ' LEU . 2.4 mt -141.18 92.86 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.8 m -69.58 119.44 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.974 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -103.35 165.65 10.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.012 0.434 . . . . 0.0 111.162 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG2' HG12 ' A' ' 106' ' ' ILE . 41.6 t -134.23 117.54 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.265 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.863 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -111.41 141.05 45.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.277 179.474 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.7 -24.03 18.25 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.282 -179.637 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.829 HG23 ' CD2' ' A' ' 67' ' ' TYR . 5.1 mm -73.64 145.6 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 111.191 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -82.49 138.84 34.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -66.55 -12.35 57.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.42 24.34 3.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.461 -179.85 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.967 ' CB ' HD21 ' A' ' 72' ' ' LEU . 4.9 m-30 -85.14 23.35 1.27 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.489 179.72 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 26.8 t0 80.91 -17.75 0.55 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 tttt 64.37 -73.93 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.676 0.274 . . . . 0.0 111.349 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -51.67 -47.06 63.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.26 -179.825 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -58.21 -13.93 6.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.622 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.967 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -97.33 -58.46 2.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.581 0.229 . . . . 0.0 111.049 -179.814 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.559 HG22 ' HA3' ' A' ' 84' ' ' GLY . 3.4 t -79.36 -50.92 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -52.49 -43.28 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.026 0.441 . . . . 0.0 110.076 179.666 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.32 -48.7 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.374 179.117 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.659 ' CD2' HD22 ' A' ' 98' ' ' LEU . 14.6 t80 -46.55 -46.93 19.68 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.978 179.493 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 3.1 mtpm? -62.81 -24.46 67.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -85.03 -18.21 35.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.27 -179.726 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -104.56 -35.97 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.057 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 6.3 m-85 -118.93 -10.68 9.83 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.46 32.36 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.655 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 77' ' ' LYS . 18.6 m -107.82 157.71 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.593 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.06 122.5 29.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.629 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.559 ' HA3' HG22 ' A' ' 73' ' ' VAL . . . -113.32 128.03 8.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.232 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.8 p -129.54 115.43 17.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.402 . . . . 0.0 111.487 -179.702 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 86' ' ' VAL . 10.1 p -75.04 111.75 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.853 179.614 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.39 159.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.986 0.422 . . . . 0.0 111.389 -179.781 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -108.95 71.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.401 179.445 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -54.71 135.36 64.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.238 -179.523 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.56 -17.83 14.11 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.57 2.18 . . . . 0.0 112.248 179.75 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.472 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -82.18 -24.2 35.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -123.5 -52.17 1.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.664 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.17 105.2 2.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.631 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 58.42 90.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.863 HG12 ' HA ' ' A' ' 61' ' ' GLN . 27.4 m -144.19 137.89 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.662 ' O ' HG22 ' A' ' 59' ' ' THR . 1.2 mm -71.92 157.55 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.966 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.657 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -133.66 95.46 3.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.808 0.337 . . . . 0.0 111.313 -179.402 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.029 HD11 HD13 ' A' ' 106' ' ' ILE . 8.4 mt -85.53 156.3 20.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.313 179.252 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.46 142.18 27.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.126 -179.728 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.16 177.07 51.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.449 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -80.29 75.39 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.013 0.435 . . . . 0.0 110.757 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.422 ' NE2' ' SG ' ' A' ' 82' ' ' CYS . 1.7 mp0 -89.77 9.07 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.846 ' HG2' HG12 ' A' ' 123' ' ' VAL . 7.0 tmm_? -48.2 -28.84 3.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -21.37 15.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -87.59 -33.82 18.74 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.733 0.301 . . . . 0.0 111.245 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 1.029 HD13 HD11 ' A' ' 98' ' ' LEU . 7.7 tp -65.82 -50.3 71.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.349 -179.658 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.608 ' HB2' HD22 ' A' ' 121' ' ' LEU . 21.9 p -52.3 -34.81 48.54 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.465 0.65 . . . . 0.0 109.271 178.717 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 112' ' ' GLU . 5.5 mm-40 -67.05 -50.68 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.809 178.697 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.772 ' CE2' HD13 ' A' ' 113' ' ' ILE . 57.2 t80 -58.02 -40.8 81.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.653 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.0 mp -59.48 -32.08 69.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.773 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.8 t -95.99 -23.41 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.253 0.549 . . . . 0.0 110.316 179.19 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.604 ' HB2' ' HA ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -68.6 -44.14 74.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.929 179.692 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.977 HD11 HD22 ' A' ' 115' ' ' LEU . 4.5 pt -96.73 -26.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.52 -179.41 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.54 29.33 5.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.853 -179.444 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.977 HD22 HD11 ' A' ' 113' ' ' ILE . 2.0 tp -75.96 -72.86 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 -179.839 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.653 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -95.04 148.85 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.628 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 147.57 31.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.52 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.29 -31.69 22.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.966 0.413 . . . . 0.0 110.689 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -78.47 -28.04 46.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.099 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.463 ' HB3' HG12 ' A' ' 44' ' ' ILE . 68.7 mt-30 -80.61 -11.55 59.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.069 179.627 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.608 HD22 ' HB2' ' A' ' 107' ' ' CYS . 65.6 mt -52.34 87.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.89 0.376 . . . . 0.0 111.257 -179.592 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 120' ' ' GLN . 11.0 mmtt -108.29 88.58 2.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.291 179.727 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.877 HG13 HG13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -98.71 127.32 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.458 -179.327 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 11.7 m-70 -134.85 68.74 1.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.256 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -57.04 120.05 18.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.156 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.271 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.796 0.331 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.88 151.53 23.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.76 35.37 51.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.566 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.48 -47.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 61.85 160.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -114.21 -1.48 13.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.415 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -93.67 15.8 15.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.683 0.278 . . . . 0.0 111.274 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 54.03 -171.67 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.76 0.314 . . . . 0.0 111.211 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.44 -60.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -96.72 99.87 11.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -66.6 -37.48 85.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.828 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -105.94 114.14 62.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.44 -22.55 38.86 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.421 2.08 . . . . 0.0 112.397 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.4 mmt -56.02 -23.95 36.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.188 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m -57.76 -46.67 84.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.73 94.56 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.1 mt -101.44 78.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.052 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 62.43 42.61 8.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -141.47 96.92 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -162.25 30.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -75.04 -31.15 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -92.95 58.13 2.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -165.36 107.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 59.39 69.66 1.26 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -62.02 -25.23 77.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.62 2.213 . . . . 0.0 112.169 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.27 39.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.787 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.8 84.03 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.49 84.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -165.51 129.0 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -64.56 140.6 58.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.09 34.29 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.5 112.94 2.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.63 81.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -99.21 31.99 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tp -81.9 89.9 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.32 145.19 63.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.34 89.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.498 2.132 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 62.04 118.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.23 80.72 1.06 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.457 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 17.1 p -146.41 18.25 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.678 0.275 . . . . 0.0 111.268 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 3.2 mt-10 47.96 26.1 0.9 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.65 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.6 t0 44.03 62.05 2.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.381 . . . . 0.0 111.397 179.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 41' ' ' GLU . 14.7 m-85 -66.78 175.28 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.571 HG21 HD11 ' A' ' 63' ' ' ILE . 19.3 mm -112.33 95.03 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.254 179.364 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 138.6 54.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.898 -179.15 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.992 HD13 HG22 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -142.48 106.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.525 179.324 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -127.55 150.12 49.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.164 0.506 . . . . 0.0 112.264 -178.636 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.686 ' CG2' HG22 ' A' ' 56' ' ' THR . 50.5 mt -102.88 157.37 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.476 179.331 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -140.72 93.73 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.409 179.296 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.537 ' HG3' HG23 ' A' ' 56' ' ' THR . 1.9 tt0 -92.34 111.54 23.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.234 -179.473 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -90.88 126.71 36.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.481 179.589 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 64.96 22.62 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.792 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.96 47.95 86.71 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.538 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 2.4 ptm180 -170.85 -44.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.283 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -72.16 65.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.001 0.429 . . . . 0.0 110.762 -179.902 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.686 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -74.76 131.35 40.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.745 -179.958 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.853 HD23 ' O ' ' A' ' 98' ' ' LEU . 4.6 mt -140.14 98.79 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.805 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.9 m -71.69 112.5 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -100.43 150.09 22.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.054 179.741 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.992 HG22 HD13 ' A' ' 46' ' ' ILE . 55.2 t -122.17 126.03 73.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.29 179.741 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.743 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -122.31 144.81 48.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.332 179.741 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.76 -26.16 18.65 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.161 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.872 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.8 mm -67.25 146.0 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.033 0.444 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.624 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.54 137.98 37.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.093 179.836 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.98 -13.72 60.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.239 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -94.92 29.25 2.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.261 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.964 ' CB ' HD21 ' A' ' 72' ' ' LEU . 3.9 m-30 -88.28 24.56 1.85 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.415 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 15.4 t0 81.64 -18.49 0.48 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.31 -74.82 0.05 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.795 0.331 . . . . 0.0 111.361 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 45.1 mttp -51.54 -42.38 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.472 -179.539 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.97 -1.29 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.018 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.964 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -107.12 -70.03 0.81 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.654 0.264 . . . . 0.0 111.1 -179.654 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.437 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 4.1 p -78.13 -45.79 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.064 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -62.01 -44.43 96.74 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.94 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.23 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.062 178.814 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.606 ' CE1' HD21 ' A' ' 98' ' ' LEU . 16.6 t80 -48.18 -48.7 34.47 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.57 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -71.54 -4.62 27.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.743 -179.927 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.56 -21.51 13.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.725 179.754 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 5.6 tmtm? -88.24 -49.58 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.214 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.544 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -108.82 -16.34 14.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.626 -179.746 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.55 33.8 0.63 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.154 0.502 . . . . 0.0 110.324 -179.266 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 16.4 m -97.03 -174.57 3.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 99' ' ' GLN . 11.5 m120 -105.87 122.93 47.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.332 179.89 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.38 157.83 19.62 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.852 -179.502 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.6 p -153.43 150.54 28.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.828 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 86' ' ' VAL . 11.7 p -114.63 111.47 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.791 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.417 HG12 ' HB2' ' A' ' 97' ' ' GLN . 13.1 pt -123.84 163.72 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.436 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -112.92 76.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.927 178.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -52.53 133.28 44.9 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.48 -179.38 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.94 -14.6 17.0 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.546 2.164 . . . . 0.0 112.347 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -85.12 -24.09 28.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.457 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.3 m-85 -126.17 -54.57 1.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.933 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.74 -112.81 0.71 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.209 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.55 89.9 4.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.769 0.319 . . . . 0.0 110.686 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 61' ' ' GLN . 30.3 m -124.44 141.79 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.49 -179.672 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.658 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -74.26 159.98 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.631 179.257 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.639 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -133.29 82.11 1.97 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.883 0.373 . . . . 0.0 111.437 -179.486 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.853 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -65.68 167.11 9.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.057 179.109 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.453 ' CB ' ' HB2' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -109.75 130.95 55.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.748 179.701 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.412 ' HA2' ' HB ' ' A' ' 56' ' ' THR . . . 88.16 178.63 47.22 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.971 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.489 ' HA ' HD13 ' A' ' 48' ' ' ILE . 19.2 p30 -80.24 73.75 7.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.959 0.409 . . . . 0.0 110.385 179.566 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.442 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -89.3 7.31 36.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.275 -179.558 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -28.37 1.92 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.027 0.441 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -92.64 -27.6 17.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.737 179.504 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -82.6 -39.11 22.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.52 HG23 ' N ' ' A' ' 107' ' ' CYS . 8.9 tp -65.48 -49.74 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.822 ' SG ' HD22 ' A' ' 121' ' ' LEU . 34.0 t -56.72 -35.22 68.29 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.033 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -33.07 64.09 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.45 178.561 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.797 ' CE2' HD13 ' A' ' 113' ' ' ILE . 67.6 t80 -72.2 -45.15 61.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.333 179.423 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.426 HD23 ' HB3' ' A' ' 116' ' ' ALA . 4.8 mp -58.84 -29.48 66.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.753 179.876 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 107' ' ' CYS . 52.3 t -92.44 -28.95 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.051 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.75 -43.82 68.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.825 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.916 HD11 HD22 ' A' ' 115' ' ' LEU . 6.0 pt -89.82 -21.87 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.335 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 90.01 34.31 8.35 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.548 -179.081 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.916 HD22 HD11 ' A' ' 113' ' ' ILE . 4.7 tp -76.97 -73.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.727 0.299 . . . . 0.0 111.141 -179.582 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.426 ' HB3' HD23 ' A' ' 110' ' ' LEU . . . -93.53 159.78 15.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.544 179.735 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -82.89 145.74 29.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.392 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.418 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 1.8 m-20 -53.17 -32.45 47.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.576 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -79.45 -28.47 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.047 179.139 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.422 ' HB3' HG12 ' A' ' 44' ' ' ILE . 75.5 mt-30 -80.11 -8.63 59.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.236 179.496 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.822 HD22 ' SG ' ' A' ' 107' ' ' CYS . 84.5 mt -56.29 88.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.997 0.427 . . . . 0.0 111.077 -179.641 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.435 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 2.2 mmtt -104.48 78.98 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.769 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.84 112.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -114.33 70.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.261 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.68 120.51 14.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.234 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.47 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.81 0.338 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -122.13 74.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.11 -164.8 17.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 p -169.48 -55.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.37 86.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -64.53 171.12 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -66.74 85.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.592 ' NE2' HG21 ' A' ' 11' ' ' THR . 15.1 t60 -113.64 -35.8 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 61.2 166.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.98 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -59.86 113.72 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.592 HG21 ' NE2' ' A' ' 8' ' ' HIS . 70.6 p -92.77 164.64 13.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -157.3 71.53 4.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.78 -13.55 37.19 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.633 2.222 . . . . 0.0 112.546 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.517 ' HA ' HD11 ' A' ' 17' ' ' ILE . 23.9 mtt -88.14 9.44 22.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.43 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 t -108.91 34.45 3.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.746 0.308 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.44 37.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 14' ' ' MET . 24.7 mt -91.49 137.93 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -79.44 145.72 33.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -103.96 33.42 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.35 -176.5 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.7 m170 62.02 151.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.93 133.83 50.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -142.17 149.9 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.3 108.12 1.14 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.31 -27.03 71.57 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.499 2.133 . . . . 0.0 112.187 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -98.04 -49.69 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.744 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.74 87.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.02 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.05 75.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -175.34 -173.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.7 m -163.89 81.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.22 114.13 21.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.18 -22.68 56.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.596 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 64.1 63.83 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -65.68 -27.61 68.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.78 141.07 45.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.7 120.08 59.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.49 -44.63 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.392 2.061 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.13 130.78 56.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.88 -134.98 3.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -109.17 -16.58 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.609 0.242 . . . . 0.0 111.277 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 2.2 mm-40 67.17 11.16 8.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.427 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.46 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 0.8 OUTLIER 50.7 61.91 2.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.971 0.415 . . . . 0.0 111.115 179.902 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.481 ' HB3' ' HG2' ' A' ' 122' ' ' LYS . 20.4 m-30 -62.6 166.66 5.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.752 HG21 ' CD2' ' A' ' 110' ' ' LEU . 0.3 OUTLIER -107.01 79.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 109.448 179.164 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.497 ' NE2' ' NE2' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -62.31 113.17 2.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.969 -178.748 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.734 HD12 ' CG2' ' A' ' 106' ' ' ILE . 16.8 mm -74.7 -93.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.485 178.789 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 79.71 121.65 0.05 OUTLIER 'General case' 0 C--N 1.342 0.27 0 CA-C-O 121.101 0.476 . . . . 0.0 112.0 178.776 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.67 HG23 HG22 ' A' ' 56' ' ' THR . 14.1 mt -97.25 156.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.406 179.271 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.441 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.6 pt20 -141.05 98.53 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 179.196 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.479 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 2.9 tt0 -95.7 125.18 40.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.495 -179.313 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.52 130.04 54.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.365 179.465 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.1 t30 66.0 20.92 11.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.904 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.56 45.75 93.97 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.858 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.0 -37.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.68 0.276 . . . . 0.0 111.533 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -74.83 66.45 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 110.745 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.67 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -76.14 135.84 39.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.99 -179.864 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.809 HD23 ' O ' ' A' ' 98' ' ' LEU . 3.9 mt -141.09 100.77 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.41 HG23 ' CG2' ' A' ' 46' ' ' ILE . 84.3 m -75.42 115.53 15.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -99.42 160.99 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.309 -179.804 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.436 HG13 HG23 ' A' ' 44' ' ' ILE . 45.0 t -127.31 109.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.607 179.398 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.63 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -86.05 55.0 3.34 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 63' ' ' ILE . . . -166.39 -144.97 4.28 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.607 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.028 HG21 HD11 ' A' ' 72' ' ' LEU . 0.8 OUTLIER 58.79 146.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.118 0.485 . . . . 0.0 110.867 179.604 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.64 155.89 18.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.301 -179.546 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.76 -18.96 61.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.237 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.47 35.46 1.34 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.988 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.966 ' CD2' HG23 ' A' ' 63' ' ' ILE . 3.7 m-30 -98.07 29.47 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.827 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' LYS . 2.5 t0 78.8 -10.5 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.003 179.881 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 60.15 -79.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.698 0.285 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' ASP . 6.0 mtpt -53.54 -64.74 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.552 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 1.5 ttpt -48.28 -24.63 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.67 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.028 HD11 HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -68.22 -79.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.084 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.448 HG22 ' HA3' ' A' ' 84' ' ' GLY . 3.6 p -83.86 -43.68 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.698 0.285 . . . . 0.0 111.715 -179.36 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 3.1 tmtm? -50.73 -42.18 57.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -66.3 -34.58 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.309 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 8.5 t80 -53.47 -52.22 60.19 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.064 0.459 . . . . 0.0 110.601 179.757 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -63.02 -14.72 51.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.481 179.817 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -20.28 16.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.714 0.292 . . . . 0.0 111.074 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.453 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 17.7 tttp -97.2 -36.92 10.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.542 -179.53 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.556 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 17.4 m-85 -112.9 -18.83 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -179.523 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.61 28.56 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 -179.243 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 77' ' ' LYS . 23.0 m -100.45 -178.79 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.765 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.413 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -106.45 103.88 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 110.548 179.793 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.448 ' HA3' HG22 ' A' ' 73' ' ' VAL . . . -106.84 136.85 13.6 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.558 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.8 p -141.89 123.44 15.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.892 0.377 . . . . 0.0 111.463 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 86' ' ' VAL . 10.2 p -83.93 111.74 20.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.708 179.481 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.56 153.45 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 111.56 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -98.08 69.91 2.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.322 179.4 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.458 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -49.37 133.71 17.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.388 -179.608 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.35 -18.03 16.24 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.474 2.116 . . . . 0.0 112.368 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.458 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -85.59 -26.39 26.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.981 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.692 ' HD2' HG21 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -115.16 -53.63 2.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.945 -179.895 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.76 97.72 2.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.675 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 61.71 84.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.692 HG21 ' HD2' ' A' ' 92' ' ' TYR . 27.9 m -139.64 142.48 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.814 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -80.56 127.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.631 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.603 HE21 HD22 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -104.83 110.54 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.973 0.416 . . . . 0.0 111.867 -178.91 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.809 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.3 mp -95.15 165.86 12.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.629 178.7 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.413 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 6.4 mm-40 -105.92 139.2 40.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.83 -179.49 51.15 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.156 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.457 ' HA ' HD13 ' A' ' 48' ' ' ILE . 9.1 p-10 -78.97 84.67 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.405 ' O ' HG22 ' A' ' 106' ' ' ILE . 1.9 mp0 -103.37 9.88 37.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.343 -179.578 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.485 ' HA ' HG21 ' A' ' 46' ' ' ILE . 3.8 ptm180 -49.43 -28.76 5.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 0.0 111.061 -179.884 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -96.42 -22.0 17.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -86.2 -36.98 19.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.244 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.734 ' CG2' HD12 ' A' ' 46' ' ' ILE . 9.0 tp -66.56 -47.38 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.945 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.679 ' O ' HG23 ' A' ' 111' ' ' VAL . 26.7 p -55.21 -32.52 62.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.307 0.575 . . . . 0.0 109.539 178.788 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -69.54 -47.0 65.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.985 178.9 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.795 ' CE2' HD13 ' A' ' 113' ' ' ILE . 64.8 t80 -58.39 -56.83 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.085 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.752 ' CD2' HG21 ' A' ' 44' ' ' ILE . 6.9 mp -53.85 -27.7 31.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.68 ' CG2' HD11 ' A' ' 121' ' ' LEU . 65.7 t -92.85 -25.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.037 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 108' ' ' GLN . 3.8 mm-40 -79.09 -47.59 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.894 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 1.046 HD11 HD22 ' A' ' 115' ' ' LEU . 12.9 pt -84.27 -0.16 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.44 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.96 30.58 67.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.686 -179.168 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.046 HD22 HD11 ' A' ' 113' ' ' ILE . 5.9 tp -74.1 -70.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 0.0 111.213 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.589 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -93.84 -170.1 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 -179.82 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 154.6 43.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.754 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.787 ' HA ' HD12 ' A' ' 121' ' ' LEU . 5.5 p30 -56.64 -25.59 53.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 4.6 m-20 -77.0 -23.17 52.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.651 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 42' ' ' ASP . 34.1 mt-30 -106.62 12.49 29.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.141 179.73 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.787 HD12 ' HA ' ' A' ' 118' ' ' ASP . 17.1 mt -81.31 57.66 3.3 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.228 0.537 . . . . 0.0 110.738 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -50.75 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.481 -179.293 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.571 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 45.64 105.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 CA-C-O 121.345 0.593 . . . . 0.0 112.402 179.454 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.497 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 9.9 m-70 -118.91 -66.35 1.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 118.32 -131.08 9.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.013 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 1.6 p90 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.949 0.404 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.469 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 18.4 m-30 -69.84 172.82 7.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.744 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.414 HG12 ' HB3' ' A' ' 120' ' ' GLN . 21.0 mm -112.95 96.67 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 110.551 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.531 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -67.91 126.03 28.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.877 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.686 HD12 ' CG2' ' A' ' 106' ' ' ILE . 26.0 mm -84.83 -96.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.462 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.481 ' N ' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.56 125.57 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.284 0.564 . . . . 0.0 112.055 178.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.86 HG23 HG22 ' A' ' 56' ' ' THR . 4.8 mt -108.81 157.46 9.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.32 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.8 pt20 -141.9 92.41 2.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 111.024 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.6 tt0 -95.29 97.97 10.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -59.49 4.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.73 -151.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.016 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.53 35.76 3.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.538 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER 174.86 -26.67 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.61 67.13 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.976 0.417 . . . . 0.0 110.607 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.86 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -87.46 150.55 23.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.322 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.903 HD13 ' NE2' ' A' ' 97' ' ' GLN . 2.6 mt -144.75 80.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.408 ' HG1' ' H ' ' A' ' 102' ' ' GLN . 44.3 m -62.59 121.74 14.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.096 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -108.12 162.55 13.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.946 0.403 . . . . 0.0 111.273 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.615 HG12 HG12 ' A' ' 63' ' ' ILE . 38.6 t -128.45 116.69 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.145 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.54 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -114.85 142.91 45.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.401 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.43 -30.07 7.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.882 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' A' ' 67' ' ' TYR . 8.2 mm -57.37 145.81 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.903 0.382 . . . . 0.0 111.079 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.611 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.69 134.34 36.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.34 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -63.31 -17.7 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -68.45 -25.29 64.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.773 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.4 m-30 -49.44 158.39 0.42 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.034 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -74.51 82.93 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.448 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -36.85 -41.72 0.34 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.739 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 4.8 mptt -66.3 -67.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.723 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -58.52 -20.37 45.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.245 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.718 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.7 tt -65.58 -68.98 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.324 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.55 HG21 ' C ' ' A' ' 84' ' ' GLY . 7.9 p -83.05 -44.99 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.792 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.472 ' N ' HG13 ' A' ' 73' ' ' VAL . 2.4 tttm -47.85 -42.15 25.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.75 70.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.694 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.823 ' CE2' HD22 ' A' ' 98' ' ' LEU . 7.9 t80 -60.64 -44.24 96.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.496 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -8.97 57.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.199 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.78 -20.22 15.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.683 0.278 . . . . 0.0 111.167 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -96.32 -49.11 5.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.547 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.46 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -107.73 -16.19 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.585 -179.411 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 69.39 40.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.0 110.998 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.83 167.07 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.804 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -87.19 109.24 19.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.55 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -118.11 139.54 14.77 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.668 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -137.17 167.46 21.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.784 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 86' ' ' VAL . 13.1 p -117.2 113.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.5 pt -119.35 145.66 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.309 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -102.37 75.18 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.468 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -56.35 137.45 75.46 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.135 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.57 -22.35 7.99 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.636 2.224 . . . . 0.0 112.289 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -82.35 -25.39 33.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.422 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -117.33 -50.9 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.819 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.94 103.36 2.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.726 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 58.03 91.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.213 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 61' ' ' GLN . 25.9 m -142.54 128.39 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.703 ' O ' HG22 ' A' ' 59' ' ' THR . 1.1 mm -68.83 153.81 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.23 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.903 ' NE2' HD13 ' A' ' 57' ' ' LEU . 1.1 tt0 -127.85 105.32 8.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 111.426 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.052 HD11 HD13 ' A' ' 106' ' ' ILE . 9.6 mt -93.74 157.3 16.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.031 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -94.49 138.17 32.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.858 0.361 . . . . 0.0 111.037 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.45 166.98 24.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.57 93.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.847 0.356 . . . . 0.0 110.758 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -105.58 9.24 33.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.967 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.405 ' HG2' HD11 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -48.08 -27.38 2.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.343 . . . . 0.0 111.287 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -97.0 -21.57 17.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.393 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -93.53 -37.24 12.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.249 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 1.052 HD13 HD11 ' A' ' 98' ' ' LEU . 6.2 tp -64.56 -50.89 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.127 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.606 ' HB3' HD22 ' A' ' 121' ' ' LEU . 15.9 m -57.15 -36.26 70.51 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.06 -33.0 69.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.397 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.825 ' CE2' HD13 ' A' ' 113' ' ' ILE . 76.5 t80 -72.48 -45.71 58.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.537 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.2 mp -56.68 -30.28 63.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.72 -30.73 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.52 -37.69 80.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.825 HD13 ' CE2' ' A' ' 109' ' ' PHE . 7.6 pt -95.09 -26.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.278 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.97 29.48 8.03 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.86 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.718 HD21 ' HG ' ' A' ' 72' ' ' LEU . 5.9 tp -75.19 -70.24 0.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.885 0.374 . . . . 0.0 110.722 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.86 -164.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.462 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.52 144.49 50.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.335 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 8.4 m-20 -52.42 -30.47 29.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.822 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.0 -25.78 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.352 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 33.0 mt-30 -85.99 -11.49 52.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.283 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 107' ' ' CYS . 54.6 mt -49.33 92.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.401 . . . . 0.0 111.002 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -113.82 84.43 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.732 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.0 p -91.78 122.66 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.531 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 37.5 m-70 -128.65 78.61 1.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.394 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.14 120.97 24.12 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.944 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.353 -179.597 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.836 0.35 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.4 m-30 -70.99 173.6 7.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.938 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 61' ' ' GLN . 22.3 mm -111.92 99.18 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.183 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.37 118.87 12.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.194 -178.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.564 HD12 ' CG2' ' A' ' 106' ' ' ILE . 37.9 mm -79.81 -96.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.315 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 82.88 127.17 0.04 OUTLIER 'General case' 0 C--N 1.342 0.276 0 CA-C-O 121.227 0.537 . . . . 0.0 112.128 178.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.552 ' CG2' HG22 ' A' ' 56' ' ' THR . 44.0 mt -102.62 157.11 4.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.378 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.44 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -132.59 79.87 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.083 0.468 . . . . 0.0 110.472 179.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.654 ' CG ' HG23 ' A' ' 56' ' ' THR . 2.4 tt0 -89.65 98.43 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.307 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.4 126.39 30.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.423 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t30 62.95 22.62 13.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.819 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.93 34.59 90.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.685 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' THR . 77.3 mtt180 -150.65 -58.13 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.699 0.285 . . . . 0.0 111.246 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 73.85 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.441 . . . . 0.0 110.714 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.654 HG23 ' CG ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -79.65 129.02 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.189 -179.715 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.823 HD23 ' CD ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -140.54 88.11 2.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.602 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 55.4 m -63.14 125.28 23.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.35 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.769 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -108.08 158.18 17.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.944 0.402 . . . . 0.0 111.157 179.499 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.502 ' CG2' HG12 ' A' ' 106' ' ' ILE . 17.5 t -125.32 123.02 64.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.115 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.563 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -118.67 149.14 41.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.778 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.32 -29.82 11.27 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.107 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.817 HG23 ' CD2' ' A' ' 67' ' ' TYR . 5.6 mm -59.93 144.45 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.0 0.429 . . . . 0.0 111.187 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -84.54 133.57 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.225 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.7 -17.39 62.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.02 -10.93 59.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.207 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.817 ' CD2' HG23 ' A' ' 63' ' ' ILE . 6.3 m-30 -53.31 -177.09 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.834 0.349 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -54.71 -30.24 55.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.15 -76.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 1.3 mptp? -56.77 -69.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.574 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -21.55 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.703 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.5 tt -54.86 -67.14 0.29 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.469 ' HB ' HD12 ' A' ' 96' ' ' ILE . 5.4 p -89.45 -30.65 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.481 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -59.4 -41.65 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.563 179.685 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.15 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.783 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.654 ' CD2' HD22 ' A' ' 98' ' ' LEU . 7.5 t80 -57.73 -44.77 86.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.549 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 15.4 mttt -69.2 -12.34 61.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.238 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -98.85 -19.26 17.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.695 0.283 . . . . 0.0 111.22 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 47.0 tttp -101.11 -37.49 8.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.739 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 6.2 m-85 -114.45 -14.21 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.716 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 66.5 32.38 7.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.013 0.435 . . . . 0.0 110.823 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 72.7 m -101.51 -177.06 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.728 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -112.05 114.96 28.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -115.02 135.81 12.64 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.695 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.7 p -131.66 131.37 43.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.804 0.335 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.1 p -86.08 64.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.971 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 pt -67.65 152.36 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.281 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -101.84 73.15 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.368 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.485 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.8 t-80 -54.31 134.3 61.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.295 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -77.33 -16.62 15.26 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.517 2.145 . . . . 0.0 112.196 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -82.64 -23.31 34.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.972 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.482 ' HD2' HG21 ' A' ' 95' ' ' VAL . 1.6 m-85 -123.93 -52.15 1.78 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.035 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.73 101.99 2.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 62.54 81.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.482 HG21 ' HD2' ' A' ' 92' ' ' TYR . 9.7 m -133.17 141.88 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.3 mm -81.23 135.32 25.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.823 ' CD ' HD23 ' A' ' 57' ' ' LEU . 5.9 tt0 -125.09 117.08 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.13 0.491 . . . . 0.0 111.696 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.093 HD11 HD13 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -98.51 158.05 15.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.359 179.199 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.68 140.03 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.212 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.18 178.3 52.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.58 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -81.21 83.26 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.508 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.533 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -94.92 10.96 33.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.197 -179.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.4 ptt85 -49.01 -25.78 2.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.833 0.349 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -102.42 -21.51 14.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.296 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -89.44 -41.61 11.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.711 0.291 . . . . 0.0 111.26 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 1.093 HD13 HD11 ' A' ' 98' ' ' LEU . 7.2 tp -60.6 -50.01 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.292 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.87 ' HB2' HD22 ' A' ' 121' ' ' LEU . 20.8 p -57.93 -35.12 70.65 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -33.34 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.502 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.824 ' CE2' HD13 ' A' ' 113' ' ' ILE . 75.0 t80 -72.97 -43.85 61.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.589 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.716 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 3.1 mp -58.51 -29.58 66.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 107' ' ' CYS . 48.7 t -92.95 -26.84 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.2 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.76 -33.08 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.033 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.895 HD11 HD22 ' A' ' 115' ' ' LEU . 9.8 pt -97.67 -24.48 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.436 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.91 27.77 9.27 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.838 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.895 HD22 HD11 ' A' ' 113' ' ' ILE . 4.6 tp -78.3 -71.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.765 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.716 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -94.35 163.3 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -89.83 150.8 22.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.548 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -58.09 -27.51 63.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.962 0.411 . . . . 0.0 110.409 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -83.18 -24.51 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.343 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.477 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 31.7 mt-30 -81.94 -14.13 56.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.247 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.87 HD22 ' HB2' ' A' ' 107' ' ' CYS . 60.2 mt -49.67 91.07 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 111.078 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 120' ' ' GLN . 5.7 mmtt -110.08 84.25 1.89 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.78 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.4 p -92.53 116.81 34.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.373 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 27.6 m-70 -122.96 83.46 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.225 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -56.18 119.54 15.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.22 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.265 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.881 0.372 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.485 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 18.7 m-30 -78.68 170.8 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.477 HG12 ' HB3' ' A' ' 120' ' ' GLN . 32.5 mm -106.75 99.26 8.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.994 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -72.61 115.67 12.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.173 -178.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.706 HD12 HG21 ' A' ' 106' ' ' ILE . 34.3 mm -74.17 -94.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.573 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 7.0 tpt180 85.47 130.21 0.04 OUTLIER 'General case' 0 C--N 1.344 0.364 0 CA-C-O 121.159 0.504 . . . . 0.0 112.003 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.792 HG23 HG22 ' A' ' 56' ' ' THR . 3.8 mt -114.03 156.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.389 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 7.6 pt20 -139.96 101.73 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.991 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.6 OUTLIER -102.62 111.38 23.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.666 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -80.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.314 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.48 43.67 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.691 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.95 19.82 59.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.878 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -145.04 -44.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -71.27 65.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.44 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.792 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -75.26 144.22 42.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.953 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 98' ' ' LEU . 1.9 mt -145.47 90.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 m -65.69 122.55 17.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -105.14 161.32 14.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.36 . . . . 0.0 110.978 179.61 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.613 HG12 HG12 ' A' ' 63' ' ' ILE . 18.8 t -128.01 119.69 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.465 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.554 ' CG ' HG11 ' A' ' 95' ' ' VAL . 19.9 mt-30 -114.01 143.42 44.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.606 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.93 -34.66 5.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.605 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.803 HG23 ' CD2' ' A' ' 67' ' ' TYR . 8.5 mm -52.74 142.44 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.016 0.436 . . . . 0.0 111.405 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.572 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -81.23 138.37 35.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.375 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.62 -16.83 64.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.895 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.91 -24.61 62.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.803 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.6 m-30 -48.33 159.18 0.22 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.221 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.13 80.33 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.172 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -37.48 -43.04 0.56 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.731 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 12.6 mttt -62.15 -68.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.719 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -62.2 -15.7 48.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.594 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.724 ' HG ' HD21 ' A' ' 115' ' ' LEU . 1.8 tt -67.88 -70.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.58 0.228 . . . . 0.0 111.501 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG21 ' C ' ' A' ' 84' ' ' GLY . 8.8 p -84.43 -45.85 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.493 ' N ' HG13 ' A' ' 73' ' ' VAL . 8.6 mmtm -48.57 -41.74 31.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.64 -31.65 72.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.556 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CD2' HD22 ' A' ' 98' ' ' LEU . 9.6 t80 -60.2 -43.93 95.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.557 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -9.15 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.245 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 -20.96 13.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.668 0.271 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -95.12 -39.19 10.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.51 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.532 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 4.9 m-85 -113.89 -18.47 11.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.649 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.32 33.32 0.9 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.923 0.392 . . . . 0.0 110.93 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 66.3 m -105.5 -179.32 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.59 117.98 35.47 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.53 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -121.83 134.33 9.86 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.654 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 p -123.73 168.11 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.001 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.1 p -120.22 71.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.593 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.9 pt -79.05 149.6 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.535 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -104.01 75.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.173 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -51.24 129.14 31.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.332 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.5 -13.44 22.63 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.433 2.089 . . . . 0.0 112.29 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.6 OUTLIER -86.1 -24.45 26.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -126.0 -54.96 1.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.89 -113.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -100.09 90.81 4.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.732 0.301 . . . . 0.0 110.757 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.554 HG11 ' CG ' ' A' ' 61' ' ' GLN . 20.3 m -118.72 136.59 55.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.284 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -74.2 151.18 7.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.859 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.593 ' OE1' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -124.66 101.8 7.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.762 0.315 . . . . 0.0 111.52 -179.048 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.863 ' O ' HD23 ' A' ' 57' ' ' LEU . 8.8 mt -91.53 155.97 18.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.329 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.01 142.54 27.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.885 0.374 . . . . 0.0 111.103 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.75 179.13 51.18 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.572 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.423 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 23.7 p-10 -83.47 78.43 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.034 0.445 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -91.34 13.92 16.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.141 -179.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -47.32 -28.92 2.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.927 0.394 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -101.52 -21.86 14.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.031 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -84.12 -37.25 22.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.061 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.837 HD13 HD11 ' A' ' 98' ' ' LEU . 4.8 tp -66.53 -52.23 48.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.053 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.63 ' HB3' HD22 ' A' ' 121' ' ' LEU . 59.5 m -55.74 -33.56 64.37 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.29 -35.24 66.1 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.418 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.782 ' CE2' HD13 ' A' ' 113' ' ' ILE . 74.2 t80 -72.05 -45.64 60.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.474 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 2.8 mp -57.24 -30.33 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.707 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 107' ' ' CYS . 49.0 t -91.73 -31.33 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.201 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.96 -29.78 66.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.782 HD13 ' CE2' ' A' ' 109' ' ' PHE . 7.7 pt -103.96 -25.24 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.445 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.64 31.95 7.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.766 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 113' ' ' ILE . 6.0 tp -76.88 -70.47 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.983 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -89.24 -169.18 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.704 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 144.9 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.421 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -54.91 -31.61 60.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.924 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.7 p30 -80.71 -19.85 44.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.485 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 33.5 mt-30 -89.32 -10.98 44.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 107' ' ' CYS . 40.9 mt -49.03 92.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.162 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -114.78 84.52 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 123' ' ' VAL . 13.1 p -94.88 124.3 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.341 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 16.6 m-70 -130.2 85.41 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.393 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.62 121.93 21.22 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.176 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.422 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.854 0.359 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -91.63 176.56 6.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.431 HG12 ' HB3' ' A' ' 120' ' ' GLN . 24.8 mm -111.74 97.84 6.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.493 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.451 ' CE1' ' NE2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.53 130.08 41.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.929 -179.24 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.727 HD12 ' CG2' ' A' ' 106' ' ' ILE . 18.2 mm -88.91 -97.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.218 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.59 124.63 0.03 OUTLIER 'General case' 0 C--N 1.345 0.387 0 CA-C-O 121.149 0.5 . . . . 0.0 111.933 178.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.726 HG23 HG22 ' A' ' 56' ' ' THR . 0.4 OUTLIER -103.35 154.66 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.406 179.295 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.423 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 7.0 pt20 -139.85 104.04 4.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 111.053 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -105.63 119.74 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.593 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -67.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.393 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -92.63 38.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.224 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.46 22.53 38.77 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.372 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -156.35 -45.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.53 66.39 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 0.0 110.357 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.726 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -71.87 158.03 36.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.086 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 98' ' ' LEU . 2.2 mt -149.56 80.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.448 ' HG1' ' H ' ' A' ' 102' ' ' GLN . 76.0 m -58.88 120.65 9.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.407 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -105.15 161.97 13.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.917 0.389 . . . . 0.0 110.81 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.629 HG12 HG12 ' A' ' 63' ' ' ILE . 29.1 t -130.88 110.5 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.057 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.834 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -103.33 140.45 37.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.478 179.682 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.2 -26.47 10.37 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.063 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.796 HG23 ' CE2' ' A' ' 67' ' ' TYR . 12.7 mm -65.47 146.42 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.943 0.401 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.525 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -86.07 132.9 33.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.382 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.28 -19.24 61.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.741 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -23.54 66.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.746 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.796 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.8 m-30 -49.91 158.0 0.55 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -73.2 78.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.45 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -41.18 -38.05 1.02 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.311 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -61.74 -55.96 24.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.544 179.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -84.29 4.83 29.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.532 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.61 ' HG ' HD21 ' A' ' 115' ' ' LEU . 1.8 tt -85.38 -58.67 2.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.765 0.316 . . . . 0.0 110.788 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.909 HG13 HD12 ' A' ' 96' ' ' ILE . 2.0 m -89.62 -40.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.332 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 5.4 ttpt -52.77 -40.84 63.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.009 0.433 . . . . 0.0 110.33 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.45 -31.55 72.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.515 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 7.7 t80 -65.27 -57.08 9.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -54.93 -22.24 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.488 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.37 -19.99 21.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 111.408 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -101.06 -30.42 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.827 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.524 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 28.2 m-85 -117.64 -15.27 10.18 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.47 24.36 2.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.3 m -102.35 -162.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.294 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -121.56 115.74 23.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.92 0.39 . . . . 0.0 110.153 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.414 ' HA2' HD12 ' A' ' 98' ' ' LEU . . . -106.34 120.31 6.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.365 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.45 ' O ' HD13 ' A' ' 96' ' ' ILE . 24.4 p -121.95 153.68 38.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.844 0.354 . . . . 0.0 111.285 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.6 ' HA ' HD13 ' A' ' 96' ' ' ILE . 11.0 p -107.39 124.07 63.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.604 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.462 HD13 ' NE2' ' A' ' 97' ' ' GLN . 17.2 pt -135.93 157.02 38.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.05 0.452 . . . . 0.0 111.595 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -111.23 74.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.198 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -56.45 142.79 68.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.359 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 86.3 Cg_endo -82.52 -26.08 2.8 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.735 2.29 . . . . 0.0 112.248 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 2.8 mm-40 -80.56 -24.2 39.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.425 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -117.55 -49.77 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.059 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.75 99.62 1.82 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.565 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.03 93.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.713 0.292 . . . . 0.0 111.076 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.834 HG12 ' HA ' ' A' ' 61' ' ' GLN . 35.9 m -143.66 145.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.909 HD12 HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -87.6 125.47 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.147 179.679 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.578 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -98.11 111.46 23.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.695 -179.122 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.832 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.5 mp -93.78 167.42 11.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.561 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 138.71 41.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 0.0 110.945 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.62 173.78 18.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.256 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.559 ' HA ' HD11 ' A' ' 48' ' ' ILE . 5.0 p-10 -69.42 98.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.009 0.433 . . . . 0.0 110.67 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.448 ' H ' ' HG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -116.05 2.49 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.407 -179.555 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.533 ' HA ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -46.16 -27.86 1.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.732 0.301 . . . . 0.0 111.561 -179.512 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -95.39 -23.79 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.347 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.421 ' HB3' ' CE2' ' A' ' 80' ' ' PHE . 60.5 m-80 -91.99 -32.37 15.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.681 0.276 . . . . 0.0 111.304 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.742 HD13 ' CD2' ' A' ' 98' ' ' LEU . 8.8 tp -65.22 -47.99 85.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.186 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.794 ' HB2' HD22 ' A' ' 121' ' ' LEU . 6.3 p -53.48 -35.03 60.12 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.422 0.63 . . . . 0.0 109.453 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -44.9 76.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.064 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.899 ' CE2' HD13 ' A' ' 113' ' ' ILE . 70.7 t80 -63.04 -49.46 74.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.286 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.749 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.9 mp -54.61 -30.52 54.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.1 t -95.6 -24.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.045 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -75.42 -39.38 59.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.899 HD13 ' CE2' ' A' ' 109' ' ' PHE . 11.4 pt -92.23 -24.23 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 111.365 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.97 28.4 8.27 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.861 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.812 HD22 HD11 ' A' ' 113' ' ' ILE . 4.8 tp -76.87 -70.27 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.472 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.749 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.74 -165.27 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.418 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 145.38 48.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.505 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 4.1 p30 -55.27 -32.05 62.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.384 . . . . 0.0 110.66 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -79.4 -25.65 42.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.3 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB3' HG12 ' A' ' 44' ' ' ILE . 28.3 mt-30 -85.48 -8.63 58.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.217 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.794 HD22 ' HB2' ' A' ' 107' ' ' CYS . 47.9 mt -50.91 92.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.344 . . . . 0.0 111.116 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -115.1 82.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.467 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.3 p -94.23 123.33 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.304 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 22.1 m-70 -126.71 80.72 1.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.178 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.11 120.99 17.44 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.222 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.276 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 121.028 0.442 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.437 ' HA ' ' CB ' ' A' ' 120' ' ' GLN . 20.3 m-30 -56.4 165.99 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.039 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.479 HD13 ' HA3' ' A' ' 62' ' ' GLY . 46.1 mm -114.64 92.08 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.624 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -63.73 134.2 54.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.903 -179.404 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.59 HD12 ' CG2' ' A' ' 106' ' ' ILE . 20.6 mm -93.35 -99.64 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.099 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.0 tpp180 85.42 119.45 0.04 OUTLIER 'General case' 0 C--N 1.344 0.356 0 CA-C-O 121.223 0.535 . . . . 0.0 111.957 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.809 HG23 HG22 ' A' ' 56' ' ' THR . 7.0 mt -99.65 155.02 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.38 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.414 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 5.5 pt20 -136.76 97.55 3.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.401 . . . . 0.0 111.251 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -103.99 106.79 17.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.388 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.809 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -93.69 23.76 4.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.742 0.306 . . . . 0.0 111.484 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.08 20.57 64.74 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.44 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -148.02 -40.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.62 0.248 . . . . 0.0 111.326 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -79.47 62.13 3.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.113 0.483 . . . . 0.0 110.203 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.809 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -66.17 153.94 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.258 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.569 HD13 ' OE1' ' A' ' 97' ' ' GLN . 3.1 mt -154.13 75.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.2 m -52.86 142.96 17.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -131.43 147.77 52.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.93 0.395 . . . . 0.0 111.025 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.611 HG12 HG12 ' A' ' 63' ' ' ILE . 49.9 t -120.26 114.31 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.06 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.887 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -106.53 143.48 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.453 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.479 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 112.33 -35.45 4.65 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.634 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.736 HG23 ' CD2' ' A' ' 67' ' ' TYR . 8.2 mm -46.62 151.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.375 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.48 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -86.59 146.06 26.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.867 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.46 -17.95 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.658 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -25.52 64.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.638 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.819 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.7 m-30 -52.97 -177.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.007 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.563 ' C ' HD22 ' A' ' 72' ' ' LEU . 5.7 m-20 -103.48 79.51 1.7 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.224 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.627 ' O ' HG22 ' A' ' 73' ' ' VAL . 1.6 mttm -41.12 -43.06 2.16 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -68.71 -58.73 3.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.881 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -32.28 67.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.404 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.819 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -60.93 -59.67 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.96 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.904 HG13 HD12 ' A' ' 96' ' ' ILE . 5.5 m -75.88 -28.8 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.328 . . . . 0.0 110.715 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -68.6 -52.16 34.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.907 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.63 99.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.165 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.8 ' CD2' HD22 ' A' ' 98' ' ' LEU . 13.4 t80 -46.7 -54.08 10.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.019 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 42.2 mtmt -58.47 -20.32 44.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -81.64 -18.73 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.985 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -103.82 -40.79 6.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.693 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -121.57 -11.75 8.63 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.19 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.91 39.72 10.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.408 . . . . 0.0 110.861 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.429 ' HG ' ' CD ' ' A' ' 102' ' ' GLN . 79.1 m -105.39 134.51 48.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.89 104.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.91 130.09 9.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.338 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.4 p -130.22 152.18 49.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 0.0 111.275 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.707 ' HA ' HD13 ' A' ' 96' ' ' ILE . 12.4 p -98.37 133.32 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.666 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.1 pt -147.72 140.83 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 111.436 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -97.8 72.77 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.638 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -54.73 129.41 64.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.35 -13.14 23.03 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.422 2.081 . . . . 0.0 112.442 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -86.31 -23.94 26.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -122.71 -55.37 1.82 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.66 98.01 2.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.6 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.42 93.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 111.132 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.887 HG12 ' HA ' ' A' ' 61' ' ' GLN . 34.0 m -140.03 144.1 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.904 HD12 HG13 ' A' ' 73' ' ' VAL . 1.5 mm -92.36 123.66 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.215 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.569 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -96.69 110.24 22.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.619 -179.099 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.848 HD11 HD13 ' A' ' 106' ' ' ILE . 13.6 mt -97.5 156.64 16.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.94 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -92.84 135.13 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.79 175.68 51.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.413 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -75.04 93.47 2.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.347 . . . . 0.0 110.669 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.429 ' CD ' ' HG ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -109.29 6.09 24.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.388 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.504 ' HA ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -48.74 -26.46 2.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.746 0.308 . . . . 0.0 111.216 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -99.6 -23.95 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.285 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -87.77 -43.21 12.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.138 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.848 HD13 HD11 ' A' ' 98' ' ' LEU . 4.2 tp -61.34 -49.84 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.761 ' HB2' HD22 ' A' ' 121' ' ' LEU . 26.4 p -56.77 -37.66 71.41 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.401 ' HG3' ' HG3' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -70.6 -33.37 70.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.52 178.625 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.917 ' CE2' HD13 ' A' ' 113' ' ' ILE . 84.9 t80 -72.86 -45.38 58.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.282 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.591 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.8 mp -54.75 -31.5 58.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.732 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.525 HG21 HD11 ' A' ' 121' ' ' LEU . 72.7 t -94.04 -29.96 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.401 ' HG3' ' HG3' ' A' ' 108' ' ' GLN . 3.5 mm-40 -68.79 -36.87 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.917 HD13 ' CE2' ' A' ' 109' ' ' PHE . 12.3 pt -97.02 -31.02 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.26 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.83 28.87 5.76 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.631 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.714 ' HB2' HD11 ' A' ' 113' ' ' ILE . 11.0 tp -74.05 -71.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.706 0.289 . . . . 0.0 110.664 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.13 -168.68 2.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.295 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 146.97 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.722 0.296 . . . . 0.0 110.274 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.41 -32.21 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.0 110.403 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -78.99 -22.43 45.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.174 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.453 ' HB3' HG12 ' A' ' 44' ' ' ILE . 21.0 mt-30 -89.57 -7.68 54.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.345 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.761 HD22 ' HB2' ' A' ' 107' ' ' CYS . 45.5 mt -54.07 89.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.87 0.367 . . . . 0.0 111.022 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -111.31 84.59 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.443 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.2 p -94.59 123.81 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.356 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 32.4 m-70 -128.78 75.07 1.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.07 120.33 21.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.365 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.111 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.96 0.409 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.458 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.3 m-85 -61.19 173.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.035 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 61' ' ' GLN . 23.8 mm -110.26 96.58 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.182 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.524 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.6 117.47 11.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.933 -178.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.701 HD12 ' CG2' ' A' ' 106' ' ' ILE . 34.3 mm -79.35 -97.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.335 178.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.3 132.19 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 111.974 178.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.547 HG23 HG22 ' A' ' 56' ' ' THR . 1.3 mt -113.6 156.02 14.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.298 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 3.6 pt20 -142.78 95.42 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.423 . . . . 0.0 111.109 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.546 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -99.7 97.15 8.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.617 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -55.25 -33.39 63.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -131.75 -151.38 0.46 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.848 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.57 29.94 6.41 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.343 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 56' ' ' THR . 9.8 ptp180 -178.08 -32.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.479 0.18 . . . . 0.0 111.456 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.84 70.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.937 0.399 . . . . 0.0 110.597 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.547 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -90.78 163.33 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.339 -179.462 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.539 HD22 ' OE1' ' A' ' 97' ' ' GLN . 5.6 mt -156.82 75.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.715 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.1 m -56.83 136.42 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.109 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -120.73 146.7 46.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.899 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.409 HG22 HG12 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -113.06 119.44 60.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.633 179.564 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -116.56 152.11 34.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.847 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.09 -34.89 5.27 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.085 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.924 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.5 mm -51.94 146.4 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 111.15 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.46 140.87 29.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.641 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -65.57 -19.59 65.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.697 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -70.4 -19.57 63.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.924 ' CD2' HG23 ' A' ' 63' ' ' ILE . 6.3 m-30 -51.91 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.509 ' C ' HD22 ' A' ' 72' ' ' LEU . 53.2 m-20 -92.61 76.86 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.202 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.63 -48.07 2.06 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.774 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 6.8 mtpm? -64.91 -46.67 80.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 10.98 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.048 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -105.78 -68.9 0.85 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 110.939 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.4 p -76.34 -39.54 34.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -65.46 -44.57 86.8 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.6 98.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.681 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.819 ' CD2' HD22 ' A' ' 98' ' ' LEU . 18.2 t80 -50.45 -39.01 46.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.747 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.7 mtpp -74.81 -6.67 50.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.472 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -104.84 -19.91 13.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.454 ' HD3' ' CE2' ' A' ' 80' ' ' PHE . 1.8 tttm -90.53 -46.43 8.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.324 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -115.36 -14.04 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.637 -179.587 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 69.06 43.26 1.14 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.996 0.427 . . . . 0.0 110.648 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.7 m -108.75 152.94 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.979 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.26 111.2 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.764 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.5 139.16 15.47 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.67 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.3 p -132.27 165.12 24.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.699 0.285 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.48 129.75 71.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -145.24 161.69 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.407 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -106.17 75.05 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.223 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.8 t-80 -54.44 138.57 59.36 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.497 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.12 -16.53 11.05 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -84.4 -22.48 30.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.4 m-85 -127.53 -54.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.043 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.78 100.76 2.65 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.739 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 63.57 87.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.439 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.525 HG11 ' HG3' ' A' ' 61' ' ' GLN . 17.4 m -141.31 140.08 32.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.785 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.675 ' O ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER -76.76 157.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.396 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.539 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -131.83 103.53 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.368 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.847 HD11 HD13 ' A' ' 106' ' ' ILE . 15.3 mt -91.49 156.72 17.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.897 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -93.24 135.54 34.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.884 0.373 . . . . 0.0 111.186 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.85 166.6 33.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -65.49 94.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.21 5.54 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.529 ' HA ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -47.41 -29.74 2.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.901 0.382 . . . . 0.0 111.138 -179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -25.52 17.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -85.15 -40.56 16.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.197 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.847 HD13 HD11 ' A' ' 98' ' ' LEU . 8.4 tp -61.64 -51.13 76.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.857 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.78 ' HB2' HD22 ' A' ' 121' ' ' LEU . 9.4 p -56.72 -35.0 68.05 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -33.19 68.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.572 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.888 ' CE2' HD13 ' A' ' 113' ' ' ILE . 68.0 t80 -73.89 -43.12 59.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.347 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 2.4 mp -58.02 -29.84 65.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.67 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 107' ' ' CYS . 48.9 t -93.83 -29.9 4.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.138 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.34 -36.72 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.888 HD13 ' CE2' ' A' ' 109' ' ' PHE . 6.7 pt -99.42 -23.17 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.4 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.8 32.19 8.18 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.409 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.67 ' HB2' HD11 ' A' ' 113' ' ' ILE . 8.4 tp -74.18 -69.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.075 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -94.42 -168.59 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.689 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.66 143.28 45.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.376 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.447 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.9 p-10 -53.28 -30.32 37.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.98 -26.3 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.248 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.463 ' HB3' HG12 ' A' ' 44' ' ' ILE . 32.8 mt-30 -83.8 -9.04 59.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.342 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 107' ' ' CYS . 51.8 mt -52.23 89.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.35 . . . . 0.0 111.178 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.418 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 3.1 mmtt -109.29 81.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.531 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 123' ' ' VAL . 13.2 p -91.97 117.54 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.488 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.524 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 31.2 m-70 -122.12 79.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.132 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.51 120.91 16.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.206 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.295 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.969 0.414 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.428 ' HB2' ' HG3' ' A' ' 122' ' ' LYS . 5.8 m-85 -69.22 172.78 6.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.448 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.681 HG23 ' O ' ' A' ' 61' ' ' GLN . 24.5 mm -109.13 101.01 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.137 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -79.24 116.4 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.068 -178.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.696 HD12 HG21 ' A' ' 106' ' ' ILE . 38.5 mm -70.57 -92.74 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.992 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.556 ' HA ' ' O ' ' A' ' 124' ' ' HIS . 0.1 OUTLIER 89.06 118.65 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.06 0.457 . . . . 0.0 112.099 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.819 HG23 HG22 ' A' ' 56' ' ' THR . 12.6 mt -104.21 158.69 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.147 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.473 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.0 pt20 -143.01 94.43 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.96 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.509 ' CG ' HG23 ' A' ' 56' ' ' THR . 1.4 tt0 -101.5 104.69 15.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.482 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -78.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.501 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -96.51 38.03 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 111.152 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.63 22.74 68.26 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.226 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 30.6 ptt180 -148.92 -47.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 0.0 110.992 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -72.79 64.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 0.0 110.228 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.819 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -74.26 150.96 40.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.36 -179.339 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.733 HD13 ' NE2' ' A' ' 97' ' ' GLN . 6.4 mt -150.28 79.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.42 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 60.4 m -59.72 123.64 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.394 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -103.21 161.29 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.005 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.615 HG22 HG12 ' A' ' 106' ' ' ILE . 21.5 t -128.63 116.95 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.05 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.681 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -111.71 153.61 26.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.629 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.27 -42.57 1.93 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.457 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.942 HG23 ' CD2' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -48.08 145.45 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.015 0.436 . . . . 0.0 110.947 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.45 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -81.3 161.6 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.506 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -79.44 -14.09 59.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.168 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -94.45 26.81 3.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.942 ' CD2' HG23 ' A' ' 63' ' ' ILE . 3.8 m-30 -92.14 19.32 7.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.288 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.05 77.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.881 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.508 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -39.83 -33.17 0.18 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.34 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -65.59 -51.13 62.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.588 179.556 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 25.01 2.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.416 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 115' ' ' LEU . 1.7 tt -115.77 -50.44 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.346 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.888 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -94.46 -36.39 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.405 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -56.98 -41.06 77.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.998 0.427 . . . . 0.0 110.26 179.533 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.648 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.05 -28.4 69.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.402 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.618 ' CD2' HD22 ' A' ' 98' ' ' LEU . 6.5 t80 -64.49 -49.54 70.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.487 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 9.1 mtmt -63.34 -17.27 62.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -20.46 22.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.107 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -98.58 -47.99 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.588 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.51 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -115.15 -18.58 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.76 -179.379 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 72.99 41.63 0.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.992 0.425 . . . . 0.0 110.842 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.54 147.03 32.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.23 104.21 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.69 107.28 3.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.529 ' O ' HD13 ' A' ' 96' ' ' ILE . 68.0 p -107.33 162.24 14.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 111.069 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.4 p -114.05 68.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.844 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.678 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.5 pt -74.38 156.46 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.029 0.442 . . . . 0.0 111.63 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -109.62 73.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.14 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -54.47 134.13 62.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.322 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.85 -16.39 14.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.545 2.163 . . . . 0.0 112.36 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.481 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -84.32 -23.96 30.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.434 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.3 m-85 -122.21 -53.33 1.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.71 99.14 2.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.574 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.03 94.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 111.291 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 89' ' ' HIS . 17.7 m -143.77 145.37 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.65 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.888 HD12 ' CG1' ' A' ' 73' ' ' VAL . 2.8 mm -82.12 128.31 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.879 0.371 . . . . 0.0 110.577 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.733 ' NE2' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -104.69 110.14 22.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.71 -179.021 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.973 HD11 HD13 ' A' ' 106' ' ' ILE . 6.3 mt -95.67 157.67 15.79 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.54 139.2 30.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.874 0.368 . . . . 0.0 111.117 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.36 173.1 35.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -74.06 94.71 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.504 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.426 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -105.13 9.79 34.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.595 ' O ' HG21 ' A' ' 123' ' ' VAL . 3.4 ptt85 -47.33 -28.81 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.73 0.3 . . . . 0.0 111.212 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.26 -21.48 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.325 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -89.62 -39.54 13.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.184 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.973 HD13 HD11 ' A' ' 98' ' ' LEU . 7.8 tp -62.31 -51.82 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.96 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.681 ' HB2' HD22 ' A' ' 121' ' ' LEU . 6.0 p -56.92 -32.33 65.83 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -73.31 -33.66 65.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.657 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.905 ' CE2' HD13 ' A' ' 113' ' ' ILE . 77.3 t80 -74.42 -44.65 50.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.379 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.585 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.0 mp -58.04 -29.48 65.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 107' ' ' CYS . 46.7 t -92.64 -31.05 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.993 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.06 -41.62 77.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.905 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.1 pt -92.22 -19.88 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.431 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.38 30.36 14.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.563 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.75 HD22 HD11 ' A' ' 113' ' ' ILE . 7.4 tp -74.52 -67.43 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -96.85 176.94 5.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 146.82 28.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.581 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -54.61 -30.95 56.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.006 0.431 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -78.56 -23.1 46.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.365 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.477 ' HB3' HG12 ' A' ' 44' ' ' ILE . 32.8 mt-30 -87.32 -11.6 48.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.107 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 107' ' ' CYS . 39.5 mt -50.53 89.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.977 0.418 . . . . 0.0 111.389 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.428 ' HG3' ' HB2' ' A' ' 43' ' ' TYR . 11.7 mmtt -113.32 81.01 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.076 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.595 HG21 ' O ' ' A' ' 103' ' ' ARG . 12.0 p -94.22 128.86 45.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.163 -178.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.556 ' O ' ' HA ' ' A' ' 47' ' ' ARG . 1.7 m-70 -146.66 91.5 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.715 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 126' ' ' PHE . . . -45.95 -93.74 0.01 OUTLIER Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.56 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.425 ' CZ ' ' OE1' ' A' ' 50' ' ' GLN . 1.3 p90 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.857 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.909 0.385 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.9 m-30 -67.6 174.54 3.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.774 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.445 HG12 ' HB3' ' A' ' 120' ' ' GLN . 19.3 mm -113.04 97.89 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.462 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -70.16 131.11 43.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.71 -179.287 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.785 HD12 HG21 ' A' ' 106' ' ' ILE . 31.0 mm -91.16 -99.27 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.41 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 7.1 tpt180 92.96 130.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.357 0.599 . . . . 0.0 112.457 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.782 HD11 ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -106.03 166.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.027 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.552 ' N ' HG23 ' A' ' 48' ' ' ILE . 10.1 pt20 -157.17 98.12 1.7 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.177 0.513 . . . . 0.0 111.061 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 4.6 tt0 -99.63 93.75 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.809 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -55.82 21.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -104.45 -150.95 0.43 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.722 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.4 37.19 3.43 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.213 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.1 OUTLIER 174.52 -29.3 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -65.05 68.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.996 0.427 . . . . 0.0 111.223 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.861 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -87.78 149.53 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.949 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.861 HD12 ' O ' ' A' ' 56' ' ' THR . 3.3 mp -144.78 86.34 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -62.92 122.78 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.303 . . . . 0.0 111.194 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -99.85 167.14 10.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.414 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.54 HG22 HG12 ' A' ' 106' ' ' ILE . 49.0 t -137.11 115.22 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.008 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.529 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -116.59 141.02 48.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.48 -30.33 7.32 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.127 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.879 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -60.77 145.79 12.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.95 0.405 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.785 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.84 148.5 31.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.15 -7.24 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.201 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -94.85 23.3 5.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.395 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.879 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.5 m-30 -89.06 22.35 2.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.424 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 70' ' ' LYS . 3.6 t70 78.76 -14.76 0.83 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.873 ' HE3' HG11 ' A' ' 86' ' ' VAL . 12.6 tttt 62.98 -76.39 0.03 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.795 0.331 . . . . 0.0 111.15 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -53.05 -58.97 5.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.208 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -53.45 -24.08 11.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.442 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.654 HD13 HG13 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -66.61 -57.98 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.219 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.874 ' CG1' HD12 ' A' ' 96' ' ' ILE . 2.3 m -87.45 -29.13 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.474 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -43.66 74.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.652 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -70.73 -30.95 67.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.458 ' CD1' HD22 ' A' ' 98' ' ' LEU . 6.3 t80 -64.07 -47.4 80.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.25 -13.77 59.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.361 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -100.59 -19.31 16.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.585 0.231 . . . . 0.0 111.298 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.436 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 5.7 tttm -98.08 -37.63 9.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.604 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.524 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 7.5 m-85 -114.45 -18.15 11.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.21 33.88 1.1 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 26.7 m -108.44 179.19 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.6 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.739 ' ND2' HG23 ' A' ' 85' ' ' THR . 0.0 OUTLIER -100.64 118.3 36.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.421 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.65 106.64 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.271 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.739 HG23 ' ND2' ' A' ' 83' ' ' ASN . 35.2 p -104.3 156.68 17.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.873 HG11 ' HE3' ' A' ' 69' ' ' LYS . 9.2 p -116.47 71.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -81.67 149.78 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.274 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -103.76 73.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.522 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -57.45 136.94 81.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.094 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.56 -20.62 10.65 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.555 2.17 . . . . 0.0 112.26 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -79.43 -24.18 42.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.461 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -120.09 -49.5 2.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.11 -179.686 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.24 96.7 2.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 62.06 91.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 61' ' ' GLN . 19.4 m -137.58 143.85 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.874 HD12 ' CG1' ' A' ' 73' ' ' VAL . 1.4 mm -83.4 127.71 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.363 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.413 ' OE1' HD23 ' A' ' 57' ' ' LEU . 1.9 mt-30 -102.32 106.22 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.368 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.98 HD11 HD13 ' A' ' 106' ' ' ILE . 8.6 mt -89.96 159.91 16.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.898 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -94.07 141.81 28.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.964 0.411 . . . . 0.0 111.374 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 73.64 -179.5 40.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.591 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.782 ' HA ' HD11 ' A' ' 48' ' ' ILE . 30.9 p-10 -80.9 90.03 5.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.718 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.464 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -103.25 13.99 32.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.123 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.94 -27.3 3.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -103.06 -21.95 13.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.102 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -85.74 -37.25 19.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.98 HD13 HD11 ' A' ' 98' ' ' LEU . 6.8 tp -62.95 -52.45 59.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.979 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.788 ' HB3' HD22 ' A' ' 121' ' ' LEU . 71.0 m -58.04 -30.44 66.15 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -73.96 -32.81 63.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.575 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.919 ' CE2' HD13 ' A' ' 113' ' ' ILE . 76.0 t80 -75.83 -44.81 39.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.389 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.692 HD23 ' CB ' ' A' ' 116' ' ' ALA . 6.3 mp -57.07 -30.53 64.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.604 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 107' ' ' CYS . 60.1 t -90.84 -31.11 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.76 -42.01 74.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.919 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.2 pt -91.52 -19.97 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.403 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.03 33.99 11.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.561 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.891 HD22 HD11 ' A' ' 113' ' ' ILE . 6.1 tp -78.24 -70.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.0 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.692 ' CB ' HD23 ' A' ' 110' ' ' LEU . . . -92.41 -179.72 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.731 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 154.81 18.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.549 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -29.03 70.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.99 0.424 . . . . 0.0 110.241 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -81.54 -29.13 33.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.169 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.448 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 32.0 mt-30 -78.73 -10.72 59.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.217 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.788 HD22 ' HB3' ' A' ' 107' ' ' CYS . 62.4 mt -51.85 88.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.979 0.418 . . . . 0.0 111.122 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.8 mmtt -111.12 89.16 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.54 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.6 p -94.26 125.66 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.866 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.523 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 20.8 m-70 -135.95 36.1 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.953 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.441 ' CA ' ' HB ' ' A' ' 48' ' ' ILE . . . -56.46 88.32 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.58 -0.736 . . . . 0.0 113.088 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.437 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.022 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.6 t0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.92 0.39 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.45 ' O ' HD13 ' A' ' 44' ' ' ILE . 18.9 m-30 -69.43 172.57 6.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 43' ' ' TYR . 15.9 mm -116.06 96.53 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.047 0.451 . . . . 0.0 110.522 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.513 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -66.81 122.99 18.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.948 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.691 HD12 ' CG2' ' A' ' 106' ' ' ILE . 30.1 mm -84.18 -96.85 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.043 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.85 125.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.321 0.582 . . . . 0.0 112.429 178.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.899 HG23 HG22 ' A' ' 56' ' ' THR . 5.3 mt -109.71 154.96 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.813 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HG3' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -138.15 94.17 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.016 0.436 . . . . 0.0 111.242 179.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.646 ' CG ' HG23 ' A' ' 56' ' ' THR . 2.7 tt0 -102.61 125.58 49.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.595 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.68 128.25 36.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.256 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.0 t30 51.47 29.23 5.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.267 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.59 17.14 76.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.387 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -145.66 -175.85 4.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.597 0.237 . . . . 0.0 110.772 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt 40.67 78.26 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.867 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.899 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -86.86 151.81 23.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.132 -179.261 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 56' ' ' THR . 1.1 mp -146.09 88.37 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -66.73 123.44 20.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.812 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.525 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -104.64 158.97 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 0.0 111.229 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.486 HG22 HG12 ' A' ' 106' ' ' ILE . 66.4 t -126.83 113.91 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.0 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.578 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -118.05 140.78 49.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.347 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.74 -27.67 9.08 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.881 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.83 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.1 mm -64.49 147.74 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.982 0.42 . . . . 0.0 111.023 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.754 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -76.04 145.0 40.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.352 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.64 -9.06 58.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.257 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -94.16 23.09 5.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.297 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.83 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.4 m-30 -90.02 19.27 5.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.486 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 49.36 86.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.784 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.431 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.3 mptt -36.74 -38.8 0.18 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.529 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -61.35 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.088 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -79.65 59.17 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.258 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.639 HD21 HD21 ' A' ' 115' ' ' LEU . 1.8 tt -156.2 -66.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.24 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.639 ' HB ' HD12 ' A' ' 96' ' ' ILE . 13.6 p -89.28 -33.53 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.992 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -61.22 -41.41 96.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.073 0.463 . . . . 0.0 109.984 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.32 -29.2 70.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.585 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CE1' HD21 ' A' ' 98' ' ' LEU . 13.2 t80 -57.65 -54.46 46.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.663 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -63.87 -13.21 43.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.313 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -96.36 -19.31 19.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.654 0.264 . . . . 0.0 111.094 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -94.69 -46.1 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.715 -179.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 1.3 m-85 -109.83 -15.24 14.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.93 28.68 0.85 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 60.9 m -96.35 -170.72 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.63 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.4 OUTLIER -110.13 108.59 18.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.118 0.485 . . . . 0.0 110.827 179.82 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.51 ' HA2' HD12 ' A' ' 98' ' ' LEU . . . -105.17 135.37 12.53 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.378 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.625 ' O ' HD13 ' A' ' 96' ' ' ILE . 12.9 p -139.05 167.91 21.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 111.3 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.4 p -121.69 140.02 46.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.4 HD13 ' CD ' ' A' ' 97' ' ' GLN . 16.6 pt -150.37 145.4 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.354 . . . . 0.0 111.368 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 94' ' ' GLU . 20.4 tt0 -98.81 70.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.037 0.446 . . . . 0.0 110.549 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.443 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 3.1 t-80 -53.29 142.47 38.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.197 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 97.2 Cg_endo -80.49 -26.5 3.94 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.583 2.188 . . . . 0.0 112.444 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.3 -20.97 31.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.601 ' HD2' HG21 ' A' ' 95' ' ' VAL . 1.2 m-85 -116.12 -49.94 2.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.051 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.49 97.86 1.39 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.689 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 88' ' ' GLU . 2.9 tp10 61.58 84.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.291 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.601 HG21 ' HD2' ' A' ' 92' ' ' TYR . 16.4 m -136.35 141.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.85 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.639 HD12 ' HB ' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -79.6 141.23 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.124 179.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.726 ' CD ' HD23 ' A' ' 57' ' ' LEU . 1.7 tt0 -114.15 101.94 9.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.921 0.391 . . . . 0.0 111.734 -179.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.597 HD21 ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -81.94 170.12 15.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.837 178.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -108.98 138.28 45.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.319 . . . . 0.0 110.825 179.628 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 72.06 169.24 11.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.08 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -67.05 89.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.437 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -104.04 4.9 34.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.919 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.545 ' HB2' HG23 ' A' ' 123' ' ' VAL . 4.5 ptm180 -46.85 -27.9 1.39 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.847 0.356 . . . . 0.0 111.159 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -93.43 -25.67 17.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -88.81 -36.61 15.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.129 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.691 ' CG2' HD12 ' A' ' 46' ' ' ILE . 7.4 tp -62.36 -52.0 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.837 ' HB2' HD22 ' A' ' 121' ' ' LEU . 4.7 p -55.89 -36.1 67.27 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -33.17 70.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.546 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.879 ' CE2' HD13 ' A' ' 113' ' ' ILE . 75.5 t80 -71.8 -44.45 63.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.509 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.666 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.4 mp -58.09 -30.13 66.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.63 -27.14 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.85 -37.32 64.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.904 HD11 HD22 ' A' ' 115' ' ' LEU . 9.4 pt -95.48 -19.09 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.525 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.31 30.05 15.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.657 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.904 HD22 HD11 ' A' ' 113' ' ' ILE . 5.6 tp -77.97 -70.26 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.666 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -95.76 -167.3 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.57 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.09 158.36 28.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.587 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.407 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.5 m-20 -63.55 -26.28 68.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.992 0.425 . . . . 0.0 110.413 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -81.81 -31.91 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.439 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 27.7 mt-30 -77.85 -11.9 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.228 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.837 HD22 ' HB2' ' A' ' 107' ' ' CYS . 79.2 mt -50.07 92.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.951 0.405 . . . . 0.0 111.133 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.412 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 2.1 mmtt -111.15 75.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.3 p -88.91 112.91 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.136 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.513 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 40.7 m-70 -114.07 -32.7 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.339 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.36 -113.87 5.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.051 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 2.0 p90 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 120.969 0.414 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.47 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.9 m-30 -65.02 168.05 7.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -110.68 100.9 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.997 179.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.526 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -77.38 120.05 21.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.141 -178.787 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.728 HD12 ' CG2' ' A' ' 106' ' ' ILE . 34.4 mm -77.56 -97.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.197 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 83.48 126.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.218 0.532 . . . . 0.0 112.367 178.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.642 ' CG2' HG22 ' A' ' 56' ' ' THR . 40.9 mt -104.18 158.69 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.038 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.458 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.1 pt20 -136.01 87.53 2.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.915 0.388 . . . . 0.0 110.67 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HG3' HG23 ' A' ' 56' ' ' THR . 3.5 tt0 -92.83 106.9 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.328 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.85 123.44 27.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.087 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 t30 64.06 21.88 12.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.709 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.68 30.81 76.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.9 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.424 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 33.8 mmm-85 -144.57 -58.31 0.36 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.73 0.265 . . . . 0.0 111.487 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -65.73 71.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.945 0.403 . . . . 0.0 111.024 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.642 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -75.96 130.29 38.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.942 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.631 HD23 ' HG2' ' A' ' 97' ' ' GLN . 1.1 mp -139.57 96.24 3.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.594 HG21 ' N ' ' A' ' 103' ' ' ARG . 0.2 OUTLIER -71.67 117.58 13.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.021 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -103.01 147.37 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.406 . . . . 0.0 110.844 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 106' ' ' ILE . 1.7 t -113.25 113.82 45.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.591 ' HG3' HG11 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -114.21 141.36 47.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.596 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 44' ' ' ILE . . . 113.36 -21.43 17.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.751 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.9 HG23 ' CE2' ' A' ' 67' ' ' TYR . 3.0 mm -66.66 150.24 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.663 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -88.74 131.58 34.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.602 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.44 -20.5 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.53 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.89 -23.03 67.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.735 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.9 ' CE2' HG23 ' A' ' 63' ' ' ILE . 6.8 m-30 -51.65 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.985 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.64 65.58 2.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.163 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -32.69 -42.81 0.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.874 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -55.67 -55.37 32.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -81.74 -22.79 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.815 HD11 HD21 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -51.78 -66.64 0.35 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.089 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.651 HG22 ' HE2' ' A' ' 77' ' ' LYS . 7.7 p -79.0 -38.81 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.482 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 5.1 tttm -53.2 -45.23 68.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.833 0.349 . . . . 0.0 110.787 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.85 -30.07 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.626 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.722 ' CD2' HD22 ' A' ' 98' ' ' LEU . 10.5 t80 -63.91 -47.11 81.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.651 ' HE2' HG22 ' A' ' 73' ' ' VAL . 27.0 mtmt -67.9 -12.35 60.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.201 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -96.88 -18.42 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.959 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 5.4 tttm -99.44 -48.5 4.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.441 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 0.6 OUTLIER -110.51 -12.57 14.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.798 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.71 46.13 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 0.0 110.648 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.3 m -112.4 136.27 52.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.946 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.43 95.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.549 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -103.28 131.43 10.62 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.477 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.2 p -139.08 123.46 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 111.547 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.6 p -83.37 117.79 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.756 HD12 ' HB2' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -130.93 149.4 33.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.757 0.313 . . . . 0.0 111.185 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -86.13 79.92 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.039 0.447 . . . . 0.0 110.479 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.498 ' HB2' HG22 ' A' ' 95' ' ' VAL . 2.2 t-80 -57.53 141.08 79.33 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.314 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.63 -17.19 8.75 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.687 2.258 . . . . 0.0 112.505 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.423 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -83.15 -23.68 32.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.966 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.4 m-85 -129.57 -53.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.99 106.95 2.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.63 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 66.73 76.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 0.0 111.51 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.598 ' O ' HD13 ' A' ' 87' ' ' ILE . 35.5 m -138.6 140.52 39.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.434 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 59' ' ' THR . 0.8 OUTLIER -73.46 154.53 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.343 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.756 ' HB2' HD12 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -128.2 95.21 4.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.187 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.722 HD22 ' CD2' ' A' ' 76' ' ' PHE . 73.8 mt -85.68 158.16 20.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.405 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.42 141.16 30.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.83 -176.34 54.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.503 ' HA ' HD13 ' A' ' 48' ' ' ILE . 11.2 p-10 -85.17 80.14 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.038 0.447 . . . . 0.0 110.447 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.506 ' C ' HG21 ' A' ' 58' ' ' THR . 0.2 OUTLIER -98.24 13.13 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.172 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.594 ' N ' HG21 ' A' ' 58' ' ' THR . 0.0 OUTLIER -46.88 -36.71 7.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 110.967 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.5 -26.25 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.246 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.434 ' HB2' ' HG3' ' A' ' 102' ' ' GLN . 1.4 m-20 -70.28 -47.05 62.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.714 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.728 ' CG2' HD12 ' A' ' 46' ' ' ILE . 10.0 tp -61.83 -49.34 84.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.614 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.831 ' SG ' HD22 ' A' ' 121' ' ' LEU . 21.7 t -56.22 -32.96 64.91 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.412 ' HG3' ' HG3' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -74.69 -37.8 62.55 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.59 178.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.819 ' CE2' HD13 ' A' ' 113' ' ' ILE . 77.3 t80 -68.51 -50.49 51.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.33 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.644 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 3.3 mp -56.08 -28.94 59.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.632 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 107' ' ' CYS . 57.5 t -91.97 -30.88 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.939 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.412 ' HG3' ' HG3' ' A' ' 108' ' ' GLN . 3.8 mm-40 -70.83 -40.82 72.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.819 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.4 pt -93.18 -14.01 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.586 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.98 33.73 26.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.84 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.872 HD11 ' CD2' ' A' ' 67' ' ' TYR . 11.6 tp -79.98 -76.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.645 0.26 . . . . 0.0 111.163 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -74.54 -163.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.424 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 144.38 49.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.373 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.4 p-10 -55.43 -30.13 59.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -78.38 -21.31 49.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.152 0.501 . . . . 0.0 109.878 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.495 ' HB3' HD13 ' A' ' 44' ' ' ILE . 11.2 mt-30 -100.65 -9.5 21.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.315 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.831 HD22 ' SG ' ' A' ' 107' ' ' CYS . 31.0 mt -55.26 92.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 110.789 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -114.16 87.33 2.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.033 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.4 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 13.8 p -100.47 128.93 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.039 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.526 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 9.8 m-70 -134.66 87.11 2.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.784 0.326 . . . . 0.0 111.59 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.97 117.87 12.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.996 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.315 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 121.058 0.456 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.465 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.8 m-30 -89.04 171.41 9.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.022 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.61 HG13 ' HB2' ' A' ' 116' ' ' ALA . 24.2 mm -107.94 97.1 5.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.355 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -71.03 115.89 10.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.941 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.634 HD12 ' CG2' ' A' ' 106' ' ' ILE . 31.6 mm -74.24 -95.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.387 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 9.9 tpt180 85.74 120.87 0.04 OUTLIER 'General case' 0 C--N 1.344 0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 112.048 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.69 ' CG2' HG22 ' A' ' 56' ' ' THR . 11.4 mt -108.41 156.58 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.278 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.5 pt20 -134.81 100.33 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.606 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.513 ' HG3' HG23 ' A' ' 56' ' ' THR . 3.0 tt0 -100.75 115.37 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.276 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.403 ' HB2' ' CB ' ' A' ' 55' ' ' LYS . 4.1 mtp85 -100.46 137.33 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 59.54 21.4 9.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.894 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.12 46.91 92.26 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.63 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 13.7 ptm180 -175.12 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.691 0.282 . . . . 0.0 111.35 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -69.97 68.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.992 0.425 . . . . 0.0 110.76 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.742 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -79.92 138.83 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.99 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 56' ' ' THR . 1.4 mp -145.32 97.82 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.607 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.486 HG23 ' CG1' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -71.17 126.46 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.213 -179.659 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -108.64 155.34 20.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.892 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 106' ' ' ILE . 55.0 t -123.65 117.83 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.298 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.796 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -115.16 140.33 49.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.345 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.0 -40.88 2.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.948 HG23 ' CD2' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -48.52 148.02 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-O 120.786 0.326 . . . . 0.0 110.325 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.5 165.36 13.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.062 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.37 -28.2 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.262 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.93 -29.83 70.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.175 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.948 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.0 m-30 -52.77 117.87 3.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.49 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.83 ' O ' HD22 ' A' ' 72' ' ' LEU . 3.7 m-20 -49.29 97.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.36 . . . . 0.0 111.042 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HD2' HG11 ' A' ' 86' ' ' VAL . 12.2 ttpp -41.64 -56.59 2.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.622 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 74' ' ' LYS . 22.2 mttp -59.26 -49.16 78.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.402 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.555 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 16.5 tptt -56.1 -16.72 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.57 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.935 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -99.12 -63.25 1.14 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.481 0.181 . . . . 0.0 111.312 -179.563 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 74' ' ' LYS . 8.5 p -78.36 -46.44 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.703 0.287 . . . . 0.0 111.224 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.463 ' N ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -61.69 -43.64 98.46 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.326 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -66.61 -39.16 88.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.075 178.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.797 ' CD2' HD22 ' A' ' 98' ' ' LEU . 18.1 t80 -50.64 -39.65 51.04 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -74.33 -6.61 49.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.32 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -104.31 -22.2 13.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.845 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.29 -43.37 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.373 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -116.86 -14.1 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.687 -179.422 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 69.45 37.86 1.91 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.6 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.7 t -107.1 157.91 17.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.931 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.99 125.36 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -133.63 146.33 18.27 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.64 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.448 ' O ' HD13 ' A' ' 96' ' ' ILE . 29.6 p -143.54 161.43 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.709 0.29 . . . . 0.0 110.852 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 86' ' ' VAL . 10.2 p -110.26 107.68 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -111.66 159.91 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 111.347 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -106.68 73.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.045 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -49.11 139.23 13.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.605 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.34 -20.0 11.4 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.56 2.173 . . . . 0.0 112.105 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.444 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -80.75 -23.62 39.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -119.67 -50.48 2.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 118.38 -17.17 11.45 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.331 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.3 105.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.918 0.359 . . . . 0.0 111.052 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.796 HG12 ' HA ' ' A' ' 61' ' ' GLN . 15.6 m -152.25 151.77 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.538 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -78.1 158.14 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.515 ' CD ' HD23 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -132.17 90.68 2.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.839 0.352 . . . . 0.0 111.484 -179.278 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 106' ' ' ILE . 13.7 mt -78.04 157.82 29.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.049 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.45 147.05 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 69.27 177.91 17.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.221 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.451 ' HA ' HD13 ' A' ' 48' ' ' ILE . 14.2 p-10 -79.23 95.05 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.406 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -106.48 7.99 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.847 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.442 ' HB2' ' CG2' ' A' ' 123' ' ' VAL . 0.0 OUTLIER -48.54 -27.61 2.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 111.184 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -93.25 -24.46 18.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -92.42 -36.26 13.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.268 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 1.023 HD13 HD11 ' A' ' 98' ' ' LEU . 8.0 tp -63.73 -50.79 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.034 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.7 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -57.82 -35.15 70.46 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.432 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -31.31 64.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.495 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.88 ' CE2' HD13 ' A' ' 113' ' ' ILE . 76.6 t80 -71.18 -53.47 14.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.531 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.462 ' CD2' HG21 ' A' ' 44' ' ' ILE . 4.7 mp -55.63 -27.15 48.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.555 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 107' ' ' CYS . 60.5 t -90.13 -30.11 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.26 -52.76 12.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.819 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.88 HD13 ' CE2' ' A' ' 109' ' ' PHE . 11.7 pt -76.52 -13.99 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.61 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.84 30.19 29.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.584 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.775 HD22 HD11 ' A' ' 113' ' ' ILE . 8.3 tp -73.2 -66.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.417 . . . . 0.0 111.061 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.61 ' HB2' HG13 ' A' ' 44' ' ' ILE . . . -108.16 170.02 8.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.05 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.53 152.31 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -55.79 -28.36 55.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.701 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.47 -30.82 42.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.248 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 22.0 mt-30 -74.03 -15.45 61.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.112 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.631 HD22 ' SG ' ' A' ' 107' ' ' CYS . 79.8 mt -51.94 92.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.068 0.461 . . . . 0.0 111.201 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.411 ' HG3' ' HB2' ' A' ' 43' ' ' TYR . 5.1 mmtt -112.23 74.06 0.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.692 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.8 p -91.28 120.95 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.529 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 24.6 m-70 -120.66 -20.2 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.588 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.12 -110.57 1.36 Allowed Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.598 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 126' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.925 0.393 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 15.7 m-85 -65.33 175.88 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.0 mm -113.13 96.77 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.077 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.34 139.89 56.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.809 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.84 HD13 HG22 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -141.63 107.69 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.544 179.411 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' CG ' ' HB2' ' A' ' 124' ' ' HIS . 50.3 mtp180 -120.76 154.49 35.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.307 -178.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.717 HG23 HG22 ' A' ' 56' ' ' THR . 14.6 mt -109.28 156.63 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.442 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.438 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 7.7 pt20 -138.32 88.46 2.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.506 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.591 ' HG3' HG23 ' A' ' 56' ' ' THR . 2.5 tt0 -91.43 108.08 19.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.384 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -81.58 120.36 24.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.382 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 66.55 22.07 10.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.753 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.79 25.45 75.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.993 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -142.77 -66.07 0.39 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.843 0.322 . . . . 0.0 111.469 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -59.22 82.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.76 HG21 ' CG ' ' A' ' 101' ' ' ASP . 0.2 OUTLIER -87.68 138.96 31.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.191 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.683 HD23 ' CD ' ' A' ' 97' ' ' GLN . 1.1 mp -141.65 86.59 2.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.8 m -62.26 113.98 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.49 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -99.0 166.62 11.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.784 179.444 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.84 HG22 HD13 ' A' ' 46' ' ' ILE . 47.3 t -135.36 129.81 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.405 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -125.85 141.34 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.29 179.408 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.12 -24.01 13.29 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.952 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.932 HG23 ' CE2' ' A' ' 67' ' ' TYR . 2.9 mm -69.97 148.17 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 0.0 110.562 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.661 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -92.49 130.14 38.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.461 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -58.33 -21.95 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -61.51 -21.21 64.03 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.818 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.932 ' CE2' HG23 ' A' ' 63' ' ' ILE . 7.1 m-30 -52.05 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.731 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -51.55 -26.54 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.093 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 0.5 OUTLIER 61.29 -81.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.621 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.8 OUTLIER -56.86 -50.88 71.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 179.498 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.463 ' HD2' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -75.53 -22.05 57.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.802 179.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.924 HD21 HD21 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -54.07 -60.51 3.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.561 HG21 ' C ' ' A' ' 84' ' ' GLY . 12.0 p -85.57 -36.66 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.434 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -44.0 69.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 0.0 110.601 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.463 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . . . -61.71 -30.58 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.465 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.633 ' CZ ' HD13 ' A' ' 98' ' ' LEU . 8.9 t80 -61.96 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.635 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 21.0 mtmt -71.56 -8.97 57.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.248 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -101.54 -19.58 15.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.321 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -99.28 -46.75 5.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.242 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 1.1 m-85 -109.82 -12.84 14.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.553 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 61.56 46.46 7.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.01 0.433 . . . . 0.0 110.66 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 55.9 m -116.02 135.53 53.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.57 95.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.561 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -103.93 137.2 13.4 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.523 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.1 p -132.0 159.26 39.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.961 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 86' ' ' VAL . 8.3 p -115.06 83.14 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.4 pt -91.53 156.76 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 111.621 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -110.16 73.96 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.019 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -50.98 132.08 29.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.296 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.47 -15.06 19.93 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.445 2.097 . . . . 0.0 112.153 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.1 OUTLIER -84.69 -23.56 29.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -125.26 -53.15 1.61 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.002 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.75 -102.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.1 87.7 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.811 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 61' ' ' GLN . 26.8 m -117.62 135.81 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.314 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.2 mm -74.84 150.92 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.983 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.683 ' CD ' HD23 ' A' ' 57' ' ' LEU . 1.4 tt0 -124.03 107.24 11.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.926 0.393 . . . . 0.0 111.278 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.857 HD11 HD13 ' A' ' 106' ' ' ILE . 82.0 mt -94.18 158.16 15.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.056 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.95 132.45 41.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.63 174.59 50.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.248 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.76 ' CG ' HG21 ' A' ' 56' ' ' THR . 0.5 OUTLIER -78.57 76.07 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.995 0.426 . . . . 0.0 110.624 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -88.38 9.03 24.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -28.93 1.21 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.871 0.367 . . . . 0.0 111.166 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -23.37 16.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 108' ' ' GLN . 26.6 m-80 -86.74 -35.31 19.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.734 0.302 . . . . 0.0 111.215 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.857 HD13 HD11 ' A' ' 98' ' ' LEU . 8.0 tp -65.68 -47.72 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.771 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.485 ' N ' HG23 ' A' ' 106' ' ' ILE . 7.4 m -55.81 -31.87 63.04 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 105' ' ' ASN . 8.0 mm100 -69.0 -44.24 73.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.769 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.873 ' CE2' HD13 ' A' ' 113' ' ' ILE . 60.4 t80 -61.1 -55.96 26.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.25 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.8 mp -52.63 -29.23 25.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.038 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 107' ' ' CYS . 91.6 t -93.19 -26.92 4.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.207 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.97 -44.25 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.981 HD11 HD22 ' A' ' 115' ' ' LEU . 11.4 pt -87.59 -11.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.67 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.18 36.11 28.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.775 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.981 HD22 HD11 ' A' ' 113' ' ' ILE . 5.3 tp -84.19 -73.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.708 0.29 . . . . 0.0 111.14 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.717 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -83.83 -162.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.495 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 147.84 47.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.683 0.278 . . . . 0.0 110.449 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -58.92 -32.13 69.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.988 0.423 . . . . 0.0 110.393 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -80.4 -27.82 38.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.112 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.45 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 32.8 mt-30 -80.86 -7.75 59.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.163 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.45 HD22 ' SG ' ' A' ' 107' ' ' CYS . 62.6 mt -54.37 87.57 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.909 0.385 . . . . 0.0 110.988 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 120' ' ' GLN . 7.2 mmtt -106.33 76.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.98 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 123' ' ' VAL . 12.1 p -88.47 117.43 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 47' ' ' ARG . 67.1 m-70 -116.19 80.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -54.2 118.53 9.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.27 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.238 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.006 0.431 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.405 ' HB3' ' CG ' ' A' ' 122' ' ' LYS . 21.6 m-30 -62.27 163.74 7.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.163 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 63' ' ' ILE . 43.4 mm -114.74 99.89 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.372 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -72.05 124.41 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.126 -178.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.794 HD12 HG21 ' A' ' 106' ' ' ILE . 22.3 mm -86.0 -97.24 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.869 178.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.96 137.58 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.399 0.619 . . . . 0.0 112.462 178.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.786 HG23 HG22 ' A' ' 56' ' ' THR . 5.7 mt -117.34 155.25 19.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.285 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.415 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 3.6 pt20 -140.55 98.11 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.067 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -97.05 105.42 17.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.611 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -59.49 -80.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.556 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -91.85 47.48 1.36 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.256 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.71 26.09 23.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.369 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.16 -39.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.677 0.275 . . . . 0.0 110.972 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 62.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.049 0.452 . . . . 0.0 110.331 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.786 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -69.4 139.71 54.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.827 -179.662 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.476 HD22 HE21 ' A' ' 97' ' ' GLN . 5.4 mt -142.99 91.5 2.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 64.9 m -64.51 140.9 58.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.001 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -119.76 157.48 28.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.017 0.437 . . . . 0.0 111.166 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.581 HG22 HG12 ' A' ' 106' ' ' ILE . 49.0 t -128.92 113.77 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.167 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.531 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -115.94 144.27 44.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.549 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.93 -26.43 12.54 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.046 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.794 HG23 ' CE2' ' A' ' 67' ' ' TYR . 5.2 mm -64.18 147.94 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.606 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -87.45 132.22 34.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.523 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.89 -20.71 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.589 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -24.43 67.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.759 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.947 ' HB3' HD21 ' A' ' 72' ' ' LEU . 5.9 m-30 -52.34 -178.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.976 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.418 ' C ' HD22 ' A' ' 72' ' ' LEU . 76.8 m-20 -91.84 88.68 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.429 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -43.89 -34.41 1.63 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.348 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -79.72 -42.62 24.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -77.9 6.01 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.698 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.947 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -110.48 -65.09 1.19 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.702 0.286 . . . . 0.0 111.01 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 74' ' ' LYS . 3.3 p -79.33 -44.28 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.8 ttpt -64.63 -44.83 89.25 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.423 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -61.04 -42.8 99.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.684 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.63 ' CD2' HD22 ' A' ' 98' ' ' LEU . 18.6 t80 -49.12 -40.77 33.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.559 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 3.8 mtmt -71.51 -10.04 59.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.539 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -102.89 -19.03 14.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.681 0.277 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.48 -36.86 11.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.426 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.544 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 4.2 m-85 -118.56 -18.63 9.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.9 34.25 0.7 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.842 0.354 . . . . 0.0 110.999 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.64 178.16 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.801 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.86 128.04 54.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -125.43 144.88 15.42 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.859 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -125.52 160.83 28.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.32 . . . . 0.0 110.944 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 86' ' ' VAL . 9.5 p -116.54 71.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.469 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.4 pt -83.12 148.37 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.548 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -103.96 76.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.974 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -51.85 130.17 38.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.276 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.41 -15.15 22.45 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.4 2.066 . . . . 0.0 112.27 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 1.6 tm-20 -83.92 -24.62 30.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.45 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -125.8 -52.16 1.57 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.363 . . . . 0.0 111.052 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.51 -111.29 0.63 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.245 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -105.63 92.73 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 61' ' ' GLN . 35.6 m -121.28 137.97 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.48 ' O ' HG22 ' A' ' 59' ' ' THR . 1.0 OUTLIER -74.65 157.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.579 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.476 HE21 HD22 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -131.39 97.9 4.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.756 0.312 . . . . 0.0 111.201 -179.357 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.052 HD11 HD13 ' A' ' 106' ' ' ILE . 9.7 mt -85.05 156.45 21.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.237 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.95 143.92 26.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.212 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.43 175.02 36.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.714 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 4.5 p-10 -76.2 79.39 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.687 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.474 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -93.56 12.65 24.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.166 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -27.46 8.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 0.0 110.73 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.33 -22.3 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.913 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -83.71 -34.22 24.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 1.052 HD13 HD11 ' A' ' 98' ' ' LEU . 9.7 tp -67.13 -49.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.656 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.794 ' SG ' HD22 ' A' ' 121' ' ' LEU . 7.1 t -50.77 -33.27 22.62 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -43.53 64.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.934 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.818 ' CE2' HD13 ' A' ' 113' ' ' ILE . 35.7 t80 -62.26 -49.39 75.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.813 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.2 mp -56.82 -29.56 62.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 107' ' ' CYS . 59.7 t -94.84 -25.1 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.189 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.72 -40.73 47.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.956 HD11 HD22 ' A' ' 115' ' ' LEU . 6.6 pt -96.65 -1.32 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.535 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.78 33.04 66.52 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.901 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.956 HD22 HD11 ' A' ' 113' ' ' ILE . 6.7 tp -74.81 -72.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.944 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -89.85 -165.57 1.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.526 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.416 ' HB2' ' HG3' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -125.14 147.06 49.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.309 179.395 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.428 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 3.4 p30 -53.76 -29.44 39.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 111.046 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.47 -23.08 40.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.416 ' HG3' ' HB2' ' A' ' 117' ' ' LYS . 16.6 mt-30 -90.3 -8.86 49.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.437 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.794 HD22 ' SG ' ' A' ' 107' ' ' CYS . 88.6 mt -52.76 93.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.042 0.449 . . . . 0.0 110.832 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.405 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 9.7 mmtt -114.7 84.06 2.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.976 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.499 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 13.3 p -96.41 123.71 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.304 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 14.4 m-70 -129.03 80.98 2.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.466 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.02 121.66 25.36 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.035 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.302 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.46 0.036 0 CA-C-O 121.054 0.454 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.401 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 21.9 m-30 -69.92 163.22 26.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.507 HD13 ' HA3' ' A' ' 62' ' ' GLY . 43.7 mm -111.56 103.01 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.33 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -79.83 115.7 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.361 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.744 HD12 ' CG2' ' A' ' 106' ' ' ILE . 26.0 mm -73.17 -94.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.335 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 86.46 126.76 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 112.262 178.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.618 HG23 HG22 ' A' ' 56' ' ' THR . 5.9 mt -108.39 158.59 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.067 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.458 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 8.3 pt20 -142.36 102.16 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.936 0.398 . . . . 0.0 110.611 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.546 ' HG3' HG23 ' A' ' 56' ' ' THR . 1.4 tt0 -104.02 123.07 46.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.453 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -87.58 117.33 26.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.256 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t30 64.2 21.19 12.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.58 39.5 60.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.972 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 31.0 mtp85 -152.33 -65.5 0.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.83 0.315 . . . . 0.0 111.512 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 14.2 mmtt -63.51 76.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 0.0 110.837 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.79 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -78.87 142.26 36.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.224 -179.649 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 56' ' ' THR . 1.5 mp -146.73 97.62 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.1 m -72.49 125.35 27.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -106.35 159.03 16.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.988 0.423 . . . . 0.0 111.259 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.548 HG22 HG12 ' A' ' 106' ' ' ILE . 92.6 t -125.63 122.27 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.874 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.653 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -120.93 139.66 52.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.01 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.507 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 111.23 -26.25 12.52 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.35 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.826 HG23 ' CE2' ' A' ' 67' ' ' TYR . 5.7 mm -66.42 146.11 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 111.058 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.583 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -88.54 133.31 34.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.566 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.64 -20.4 60.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.612 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.28 -22.72 67.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.936 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.3 m-30 -52.8 -177.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.477 ' C ' HD22 ' A' ' 72' ' ' LEU . 5.3 m-20 -89.73 89.53 7.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -43.95 -32.11 1.05 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.444 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 11.6 mtmm -78.12 -53.48 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -66.59 -3.01 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.946 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.936 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -102.46 -75.76 0.59 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.717 0.294 . . . . 0.0 111.451 -179.695 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.42 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 2.6 p -75.63 -42.88 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.129 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -62.5 -45.34 93.46 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.079 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.82 92.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.016 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.496 ' CD1' HD22 ' A' ' 98' ' ' LEU . 15.5 t80 -46.57 -48.43 19.58 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.041 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.1 mtpp -64.52 -15.04 60.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.665 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.07 -19.73 17.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.775 0.321 . . . . 0.0 111.322 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 2.4 tttp -97.94 -34.13 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.617 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.487 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 19.1 m-85 -115.84 -17.15 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 71.44 31.39 2.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.94 0.4 . . . . 0.0 110.621 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 57.3 m -105.59 178.67 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.0 117.53 34.45 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -114.97 133.47 11.03 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.861 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.9 p -121.43 169.7 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 86' ' ' VAL . 10.0 p -118.88 78.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.22 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pt -84.61 153.16 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.472 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -106.48 71.88 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.066 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.485 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -47.52 140.17 7.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.463 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.22 -22.57 9.64 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.54 2.16 . . . . 0.0 111.982 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -79.33 -23.85 43.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.987 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.462 ' CD2' HG11 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -117.45 -49.21 2.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 112.95 -18.61 21.63 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.705 -0.76 . . . . 0.0 113.012 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -176.49 110.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.784 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 61' ' ' GLN . 16.5 m -154.78 147.3 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.362 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 59' ' ' THR . 0.4 OUTLIER -77.66 155.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.546 ' CD ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -129.34 96.17 4.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.715 0.293 . . . . 0.0 111.497 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.022 HD11 HD13 ' A' ' 106' ' ' ILE . 7.1 mt -82.27 157.84 23.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.156 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.57 143.0 26.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.774 0.321 . . . . 0.0 111.022 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.62 172.99 39.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.354 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -77.31 79.12 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.42 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -89.1 11.31 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.777 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.478 ' NH1' HG22 ' A' ' 123' ' ' VAL . 4.5 ttt-85 -45.73 -30.72 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -100.16 -22.13 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.206 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -85.33 -36.27 20.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.354 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 1.022 HD13 HD11 ' A' ' 98' ' ' LEU . 8.9 tp -65.27 -49.41 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.253 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.541 ' O ' HG23 ' A' ' 111' ' ' VAL . 28.8 p -53.57 -32.36 50.59 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.408 0.623 . . . . 0.0 109.411 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -44.12 68.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.881 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.741 ' CE2' HD13 ' A' ' 113' ' ' ILE . 40.7 t80 -61.43 -47.96 83.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.747 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.4 mp -58.24 -28.91 65.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 107' ' ' CYS . 50.8 t -95.32 -24.99 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.29 -39.86 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.111 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.997 HD11 HD22 ' A' ' 115' ' ' LEU . 5.8 pt -96.67 -1.21 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.5 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.41 31.27 63.51 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.939 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.997 HD22 HD11 ' A' ' 113' ' ' ILE . 5.8 tp -76.02 -71.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -93.85 166.56 12.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.455 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 150.38 22.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.4 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.5 p-10 -55.31 -28.35 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.77 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.68 -21.04 45.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.36 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 122' ' ' LYS . 11.8 mt-30 -94.05 -3.66 50.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 107' ' ' CYS . 24.9 mt -58.25 78.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.925 0.393 . . . . 0.0 111.314 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.1 mmtt -101.5 73.07 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.938 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.478 HG22 ' NH1' ' A' ' 103' ' ' ARG . 6.4 p -89.51 128.32 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.817 -178.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 11.3 m-70 -137.82 139.85 40.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.95 129.45 8.93 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.165 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.545 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.967 0.413 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 120' ' ' GLN . 21.9 m-30 -73.26 161.22 30.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.017 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.45 HD12 HD13 ' A' ' 63' ' ' ILE . 30.2 mm -113.31 93.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.181 0.515 . . . . 0.0 110.274 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -66.33 116.28 7.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.425 -178.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.68 HD12 ' CG2' ' A' ' 106' ' ' ILE . 26.9 mm -79.51 -96.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.862 178.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.15 134.89 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.41 0.624 . . . . 0.0 112.371 178.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.853 HG23 HG22 ' A' ' 56' ' ' THR . 3.4 mt -116.77 154.44 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.876 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.9 pt20 -143.49 99.27 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 111.152 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.4 tt0 -100.19 99.14 9.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.743 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -54.61 44.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.452 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.1 -151.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.747 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.43 34.29 4.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.302 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.6 OUTLIER 177.07 -27.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 67.73 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.079 0.466 . . . . 0.0 110.686 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.853 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -86.49 151.15 23.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.044 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 98' ' ' LEU . 6.1 mt -145.92 81.28 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.6 m -60.09 137.66 58.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -121.19 156.81 31.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.018 0.437 . . . . 0.0 111.389 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.497 ' CG2' HG12 ' A' ' 106' ' ' ILE . 84.6 t -124.48 120.97 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.048 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.741 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -119.78 146.31 45.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.64 179.763 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.93 -23.52 30.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.252 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.882 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -72.76 146.2 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.436 . . . . 0.0 111.08 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.556 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -80.55 139.07 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.977 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -65.63 -14.05 60.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -95.66 30.43 2.32 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.722 0.296 . . . . 0.0 111.35 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.977 ' CB ' HD21 ' A' ' 72' ' ' LEU . 3.5 m-30 -89.28 24.79 2.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.364 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 4.6 t70 82.21 -16.9 0.57 Allowed 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 63.74 -76.35 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.68 0.276 . . . . 0.0 111.447 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 74' ' ' LYS . 7.0 pttm -50.34 -47.0 56.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 111.352 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -59.17 -12.67 5.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.6 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.977 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -98.68 -67.89 0.83 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.64 0.257 . . . . 0.0 111.385 -179.494 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 74' ' ' LYS . 4.4 p -78.75 -45.79 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.212 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 73' ' ' VAL . 1.8 ttmt -61.96 -43.74 98.21 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -65.68 -42.56 91.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.235 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.758 ' CD2' HD22 ' A' ' 98' ' ' LEU . 11.7 t80 -45.95 -52.06 12.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.813 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 14.3 mtmt -61.72 -22.31 65.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -17.79 49.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.857 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 35.4 tttp -104.43 -45.32 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.576 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 0.5 OUTLIER -115.17 -16.77 11.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.771 -179.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 67.01 38.5 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.652 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.93 136.18 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.51 109.46 1.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -112.97 136.7 13.66 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.484 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.2 p -133.47 122.06 23.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.165 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 86' ' ' VAL . 8.0 p -77.32 95.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -96.39 150.73 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.298 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -100.83 71.22 1.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.094 0.473 . . . . 0.0 110.226 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.485 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -46.72 138.62 6.88 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.456 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -77.74 -20.47 11.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.53 2.154 . . . . 0.0 112.094 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -82.28 -23.97 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -116.64 -50.52 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.984 -179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 115.2 -19.48 15.0 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.711 -0.756 . . . . 0.0 113.239 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.36 107.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.815 0.307 . . . . 0.0 111.029 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 61' ' ' GLN . 12.6 m -152.54 145.4 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -77.09 157.6 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.162 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.422 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -134.08 97.69 3.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 0.0 111.279 -179.351 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.904 HD11 HD13 ' A' ' 106' ' ' ILE . 17.3 mt -85.18 157.85 20.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.188 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -95.15 135.1 37.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.19 165.79 34.95 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.24 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 5.3 p-10 -66.09 96.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.419 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -109.76 4.92 22.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.065 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.433 ' HB2' HG23 ' A' ' 123' ' ' VAL . 1.3 ptm180 -47.77 -27.62 2.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.785 0.326 . . . . 0.0 111.226 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -94.29 -26.41 16.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -86.83 -41.16 14.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.904 HD13 HD11 ' A' ' 98' ' ' LEU . 8.1 tp -60.16 -49.9 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.526 ' N ' HG23 ' A' ' 106' ' ' ILE . 82.6 m -57.67 -34.04 68.97 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.31 -32.4 66.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.512 178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.874 ' CE2' HD13 ' A' ' 113' ' ' ILE . 79.0 t80 -74.42 -45.22 47.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.458 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.722 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.1 mp -57.89 -29.33 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.837 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 107' ' ' CYS . 55.6 t -92.65 -28.65 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.84 -43.19 65.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.946 HD11 HD22 ' A' ' 115' ' ' LEU . 9.4 pt -87.56 -24.9 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.329 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.2 30.07 8.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.789 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 113' ' ' ILE . 3.8 tp -79.1 -71.82 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.722 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -92.44 -164.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.709 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.42 153.71 40.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.66 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.581 ' HA ' HD12 ' A' ' 121' ' ' LEU . 12.5 t0 -55.62 -24.26 32.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.709 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.421 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 53.9 m-20 -77.28 -21.5 53.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 109.824 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 10.3 mt-30 -106.68 -11.03 15.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.132 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 118' ' ' ASP . 14.4 mt -51.02 93.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 3.1 mmtt -112.34 80.23 1.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.2 p -92.13 113.75 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 33.9 m-70 -114.31 -26.19 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.41 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 51.71 -108.73 0.66 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.428 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.971 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 120' ' ' GLN . 19.9 m-30 -56.41 162.72 2.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.255 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.443 HD13 ' HA3' ' A' ' 62' ' ' GLY . 44.2 mm -115.11 102.31 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.37 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.515 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -73.33 129.52 38.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.104 -179.001 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.799 HD12 HG21 ' A' ' 106' ' ' ILE . 23.5 mm -91.66 -98.01 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.947 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 2.8 ttt85 86.12 134.86 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.305 0.574 . . . . 0.0 112.423 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.582 ' CG2' HG22 ' A' ' 56' ' ' THR . 17.0 mt -114.9 155.58 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.425 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.423 ' HG3' ' HB2' ' A' ' 57' ' ' LEU . 2.6 pt20 -138.67 94.23 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.489 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.458 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 2.1 tt0 -93.59 116.88 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.245 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -95.55 125.14 39.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.405 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 66.39 21.82 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.22 44.02 96.2 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.719 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -167.74 -45.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.0 111.323 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -70.37 65.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 110.674 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.582 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -73.98 135.41 43.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.079 -179.744 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.901 HD23 ' O ' ' A' ' 98' ' ' LEU . 1.2 mt -142.63 110.33 5.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.61 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -89.83 118.61 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 110.97 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -101.1 161.68 13.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.951 0.405 . . . . 0.0 111.296 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.581 HG12 HG12 ' A' ' 63' ' ' ILE . 45.7 t -129.48 117.58 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -116.31 142.91 46.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.392 179.662 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.443 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 113.07 -29.84 7.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.0 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.809 HG23 ' CE2' ' A' ' 67' ' ' TYR . 8.5 mm -57.84 144.67 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.936 0.398 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.611 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -80.62 137.53 36.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.574 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -17.15 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.795 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.52 -26.45 64.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.947 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.809 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.2 m-30 -47.67 166.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -82.01 70.41 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.144 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.709 ' HD2' HG21 ' A' ' 86' ' ' VAL . 32.3 ttpt -35.75 -46.23 0.43 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.865 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 7.3 mmtp -55.92 -54.82 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -4.19 57.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.408 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.731 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.8 tt -71.87 -64.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.784 0.326 . . . . 0.0 110.714 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.523 HG21 ' C ' ' A' ' 84' ' ' GLY . 7.6 p -82.79 -35.94 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.557 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 4.8 tptt -52.85 -43.61 66.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.634 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.22 -31.72 73.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.768 ' CD2' HD22 ' A' ' 98' ' ' LEU . 8.9 t80 -59.78 -42.73 94.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -8.73 56.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.253 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -103.79 -19.56 14.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 111.056 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -97.0 -42.89 7.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.336 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.7 m-85 -111.74 -15.69 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.608 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 68.13 37.59 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.815 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.8 m -108.66 169.16 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -92.01 110.47 21.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.772 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.523 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -116.65 139.89 15.55 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.747 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.0 p -135.34 168.71 18.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.709 HG21 ' HD2' ' A' ' 69' ' ' LYS . 14.4 p -117.9 118.06 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.441 HD11 ' HG3' ' A' ' 97' ' ' GLN . 17.5 pt -124.56 148.22 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.304 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -102.84 74.25 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.6 t-80 -59.79 138.07 90.21 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.012 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.64 -20.03 9.58 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.6 2.2 . . . . 0.0 112.277 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -79.73 -23.71 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -124.22 -50.39 1.79 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.962 -179.677 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.84 106.65 2.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.685 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 55.17 83.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.768 0.318 . . . . 0.0 111.213 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 61' ' ' GLN . 30.5 m -131.77 131.51 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.657 ' O ' HG22 ' A' ' 59' ' ' THR . 0.8 OUTLIER -70.29 157.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.078 179.587 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.728 ' NE2' HD13 ' A' ' 57' ' ' LEU . 1.1 tt0 -132.79 105.88 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.367 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.086 HD11 HD13 ' A' ' 106' ' ' ILE . 9.1 mt -92.02 156.99 17.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.159 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.29 141.86 29.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.79 0.328 . . . . 0.0 110.802 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.03 175.44 48.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.101 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.451 ' HA ' HD13 ' A' ' 48' ' ' ILE . 4.6 p-10 -77.94 87.32 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.983 0.42 . . . . 0.0 110.756 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.473 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -102.21 13.11 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.057 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.407 ' O ' HG21 ' A' ' 123' ' ' VAL . 9.8 ptt85 -52.01 -25.34 8.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.846 0.355 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.57 -20.62 13.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -88.04 -34.49 17.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 1.086 HD13 HD11 ' A' ' 98' ' ' LEU . 8.1 tp -64.82 -50.04 77.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.351 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.697 ' HB2' HD22 ' A' ' 121' ' ' LEU . 5.1 p -53.49 -33.28 53.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.44 0.638 . . . . 0.0 109.413 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -47.27 65.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.986 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.867 ' CE2' HD13 ' A' ' 113' ' ' ILE . 61.8 t80 -59.18 -51.01 71.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.192 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.2 mp -55.56 -29.34 58.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 107' ' ' CYS . 60.0 t -94.23 -24.89 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.274 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.55 -42.08 30.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.115 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.916 HD11 HD22 ' A' ' 115' ' ' LEU . 12.2 pt -88.75 -22.01 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.328 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.27 35.57 6.24 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.726 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.916 HD22 HD11 ' A' ' 113' ' ' ILE . 4.6 tp -84.48 -71.3 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.805 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.702 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.42 -164.44 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 152.62 46.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 8.9 p-10 -59.47 -28.9 67.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.651 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.23 -28.28 34.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.365 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 14.9 mt-30 -83.59 -6.37 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.23 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.697 HD22 ' HB2' ' A' ' 107' ' ' CYS . 56.4 mt -52.88 92.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.038 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.408 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -115.55 83.76 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.5 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 14.9 p -97.08 125.44 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.303 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.515 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 14.0 m-70 -128.35 77.57 1.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.309 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.04 120.96 25.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.39 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.423 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 121.008 0.432 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.456 ' HB3' ' CG ' ' A' ' 122' ' ' LYS . 22.0 m-30 -60.81 161.09 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.137 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 61' ' ' GLN . 38.6 mm -111.11 92.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.137 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.551 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -67.2 113.95 5.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.363 -178.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.544 HD12 ' CG2' ' A' ' 106' ' ' ILE . 28.1 mm -77.64 -96.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.999 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 4.9 ttt180 86.15 135.16 0.05 OUTLIER 'General case' 0 C--N 1.344 0.329 0 CA-C-O 121.189 0.519 . . . . 0.0 112.162 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.803 HG23 HG22 ' A' ' 56' ' ' THR . 6.1 mt -113.75 154.36 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.011 179.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.0 OUTLIER -137.9 103.23 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 111.207 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.5 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -105.29 101.34 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.506 179.702 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.16 -80.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.614 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -92.6 44.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.868 0.366 . . . . 0.0 111.196 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.29 24.64 52.36 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.291 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 13.2 ptm180 -150.59 -46.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 1.7 tppt? -70.93 66.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.03 0.443 . . . . 0.0 110.483 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.803 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -73.2 139.58 46.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.047 -179.624 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 56' ' ' THR . 2.1 mp -142.45 97.78 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.739 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.557 HG23 HG13 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -72.48 117.97 14.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 -179.703 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -98.19 152.24 19.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.748 179.578 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 106' ' ' ILE . 67.5 t -121.13 117.91 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.958 0.409 . . . . 0.0 110.784 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -115.66 152.65 32.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.825 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.487 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 102.28 -30.25 10.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.939 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.82 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.7 mm -60.9 148.42 9.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.929 0.395 . . . . 0.0 111.022 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -88.25 133.25 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.429 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -58.28 -22.18 51.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.595 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.17 -27.39 67.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.82 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.3 m-30 -53.22 -177.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.687 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 71' ' ' LYS . 19.5 m-20 -95.77 80.52 3.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.976 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -38.45 -56.43 1.26 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.991 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -47.79 81.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.065 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . 2.1 ttpt -61.48 -38.54 87.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.517 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.729 ' HG ' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -56.93 -54.53 45.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.541 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.623 HG13 ' HA3' ' A' ' 84' ' ' GLY . 2.4 t -73.97 -44.75 50.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.237 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -55.89 -44.89 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.092 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.86 73.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.103 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.484 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 19.4 t80 -49.2 -55.96 10.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.031 0.443 . . . . 0.0 110.785 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 16.1 mtmt -59.64 -18.93 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.446 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.73 -19.2 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.672 0.272 . . . . 0.0 111.514 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HD3' ' CE2' ' A' ' 80' ' ' PHE . 3.9 tmtm? -95.4 -36.7 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.55 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 2.8 m-85 -119.39 -13.88 9.23 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.16 27.53 1.53 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 73.4 m -89.95 -170.6 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.717 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.424 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.5 OUTLIER -115.73 113.35 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.84 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.623 ' HA3' HG13 ' A' ' 73' ' ' VAL . . . -104.76 139.56 14.66 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.409 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -150.05 122.48 8.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.534 HG23 HD12 ' A' ' 96' ' ' ILE . 11.5 p -78.71 144.87 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.287 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.401 HG12 ' HB2' ' A' ' 97' ' ' GLN . 1.2 pp -156.62 158.25 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -105.76 77.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.183 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.7 t-80 -55.97 131.84 73.74 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.396 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -77.41 -13.85 16.51 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.555 2.17 . . . . 0.0 112.148 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.53 -23.58 29.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.0 m-85 -128.15 -54.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.88 107.66 3.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.774 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.18 88.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.437 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 61' ' ' GLN . 18.8 m -146.04 148.61 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.534 HD12 HG23 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -84.6 130.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.088 0.47 . . . . 0.0 110.679 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.526 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -101.44 106.67 17.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.039 -178.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 3.3 mp -89.78 165.61 14.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.589 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.424 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 5.9 tm0? -104.84 139.52 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.855 0.36 . . . . 0.0 111.01 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.19 -179.29 42.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.25 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.419 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 7.7 p-10 -79.35 88.78 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.4 . . . . 0.0 110.611 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.413 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -104.73 5.29 33.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.937 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.497 ' N ' HG21 ' A' ' 58' ' ' THR . 0.4 OUTLIER -47.83 -28.03 2.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 -179.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -93.48 -23.64 18.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -89.63 -34.43 16.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.69 0.281 . . . . 0.0 111.165 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 60' ' ' VAL . 9.4 tp -64.91 -51.44 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.995 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.699 ' HB2' HD22 ' A' ' 121' ' ' LEU . 4.6 p -54.97 -34.81 63.66 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -34.93 65.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.559 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.923 ' CE2' HD13 ' A' ' 113' ' ' ILE . 80.6 t80 -71.76 -47.67 52.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.648 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.9 mp -56.94 -29.51 63.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.752 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 107' ' ' CYS . 51.8 t -92.08 -28.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.43 -44.61 57.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.923 HD13 ' CE2' ' A' ' 109' ' ' PHE . 10.3 pt -86.01 -24.32 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.459 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.98 32.46 7.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.659 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.729 HD21 ' HG ' ' A' ' 72' ' ' LEU . 7.2 tp -79.82 -67.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.761 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -94.3 -165.38 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.52 145.16 51.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.506 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.3 p-10 -51.98 -27.58 13.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.026 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -80.5 -26.3 38.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.519 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.437 ' HB3' HG12 ' A' ' 44' ' ' ILE . 16.8 mt-30 -89.21 -4.29 58.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.699 HD22 ' HB2' ' A' ' 107' ' ' CYS . 42.5 mt -53.87 90.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.123 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 2.8 mmtt -112.02 79.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.678 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.9 p -92.5 117.72 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.332 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.551 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 16.8 m-70 -123.81 81.34 1.9 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.441 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.02 121.28 25.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.055 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.325 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 121.151 0.5 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.1 m-85 -66.04 176.87 1.52 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.041 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.423 HG12 ' NE2' ' A' ' 120' ' ' GLN . 23.7 mm -117.36 101.5 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.14 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.502 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -68.9 128.99 38.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.733 -179.205 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.948 HD13 HG22 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -124.49 106.2 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.321 179.004 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.46 165.68 11.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.459 -178.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.822 HD11 ' HA ' ' A' ' 101' ' ' ASP . 2.1 tt -136.25 141.9 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.721 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 56' ' ' THR . 0.7 OUTLIER -129.12 91.42 3.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.748 0.309 . . . . 0.0 111.449 -179.578 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HB2' HG23 ' A' ' 56' ' ' THR . 14.1 tt0 -94.02 98.91 11.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.1 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.98 138.52 31.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.609 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.7 t30 61.79 22.42 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.995 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.17 42.06 99.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.491 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 12.4 ptm180 -175.01 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.715 0.293 . . . . 0.0 111.269 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -68.53 70.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.685 HG22 HG12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -86.72 143.55 27.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.387 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.902 HD23 ' O ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -147.44 88.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.353 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.0 m -63.44 126.27 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.669 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -112.5 161.22 16.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.839 179.388 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.948 HG22 HD13 ' A' ' 46' ' ' ILE . 44.9 t -131.06 126.06 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.223 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.609 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -123.24 143.59 49.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.482 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.71 -27.22 12.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.119 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.869 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.9 mm -61.65 145.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.976 0.417 . . . . 0.0 110.966 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.735 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.87 144.71 33.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.093 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.41 -9.2 57.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.244 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -94.59 25.09 4.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.275 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.869 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.6 m-30 -89.25 25.57 1.86 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.289 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 3.1 t0 80.46 -15.01 0.78 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.763 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 62.36 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 111.124 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -53.26 -67.32 0.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.191 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -48.0 -27.16 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.377 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.611 ' CD2' HD21 ' A' ' 115' ' ' LEU . 1.5 tt -62.09 -68.93 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.578 HG21 ' C ' ' A' ' 84' ' ' GLY . 10.7 p -82.38 -40.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.62 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' N ' HG13 ' A' ' 73' ' ' VAL . 22.1 tttt -47.63 -42.95 25.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.443 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.01 -29.43 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CD2' HD22 ' A' ' 98' ' ' LEU . 7.5 t80 -60.45 -46.66 89.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.9 mtpt -70.1 -9.76 56.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.307 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.55 -21.39 13.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.704 0.288 . . . . 0.0 110.965 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 tmtm? -95.07 -37.61 11.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.403 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.526 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 7.7 m-85 -114.92 -18.08 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.551 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.26 32.37 1.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.972 0.415 . . . . 0.0 110.771 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.9 m -105.04 -177.49 3.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.638 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -107.73 116.14 31.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 109.985 179.724 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.578 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -123.66 131.1 7.93 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.361 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.449 ' O ' HD13 ' A' ' 96' ' ' ILE . 23.2 p -125.27 168.34 13.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.906 0.384 . . . . 0.0 111.248 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.6 p -118.01 107.96 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.781 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.1 pt -115.16 151.72 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.429 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -101.9 71.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.561 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -55.68 136.22 71.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.134 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.97 -18.42 13.05 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.531 2.154 . . . . 0.0 112.165 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.469 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -81.16 -23.56 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.536 ' HD2' HG21 ' A' ' 95' ' ' VAL . 1.2 m-85 -123.46 -51.23 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.076 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.67 99.6 2.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 62.09 88.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 61' ' ' GLN . 18.6 m -140.57 137.36 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.743 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mm -73.13 155.83 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.131 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.784 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -132.48 103.56 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.799 0.333 . . . . 0.0 111.509 -179.296 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.964 HD11 HD13 ' A' ' 106' ' ' ILE . 3.2 mt -90.56 156.36 18.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.91 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.98 147.79 24.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.788 0.327 . . . . 0.0 111.014 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.47 169.42 1.86 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.172 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.822 ' HA ' HD11 ' A' ' 48' ' ' ILE . 5.4 p-10 -72.64 97.46 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.745 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.46 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -104.3 14.3 30.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.932 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -44.91 -32.87 1.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 0.0 111.426 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -93.81 -22.71 18.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.409 ' HB2' ' HG3' ' A' ' 102' ' ' GLN . 27.3 m-80 -88.7 -38.22 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.044 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.964 HD13 HD11 ' A' ' 98' ' ' LEU . 6.8 tp -67.94 -50.51 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.621 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.556 ' O ' HG23 ' A' ' 111' ' ' VAL . 8.4 m -59.53 -32.73 70.58 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -73.58 -33.06 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.422 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.838 ' CE2' HD13 ' A' ' 113' ' ' ILE . 70.6 t80 -72.62 -45.1 60.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.323 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.64 HD23 ' CB ' ' A' ' 116' ' ' ALA . 6.1 mp -58.8 -29.46 66.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.701 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 107' ' ' CYS . 48.6 t -91.58 -30.63 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.57 -44.63 70.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.826 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.969 HD11 HD22 ' A' ' 115' ' ' LEU . 6.4 pt -89.14 -17.0 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.451 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.89 32.34 21.38 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.581 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.969 HD22 HD11 ' A' ' 113' ' ' ILE . 4.6 tp -76.74 -72.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 111.067 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.64 ' CB ' HD23 ' A' ' 110' ' ' LEU . . . -90.31 -168.49 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.473 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 149.24 52.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.637 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.523 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.9 t70 -58.23 -28.21 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.333 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 1.9 m-20 -76.65 -19.55 57.65 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.423 ' NE2' HG12 ' A' ' 44' ' ' ILE . 29.3 mt-30 -103.35 -12.67 17.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.061 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.546 HD22 ' SG ' ' A' ' 107' ' ' CYS . 17.8 mt -50.63 92.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.004 0.43 . . . . 0.0 111.146 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -114.83 84.05 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 123' ' ' VAL . 13.8 p -89.9 124.05 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 111.755 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.502 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 42.4 m-70 -131.83 84.48 2.17 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.817 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 126' ' ' PHE . . . -74.7 100.55 1.21 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.701 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.615 ' N ' HG22 ' A' ' 48' ' ' ILE . 1.5 p90 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.146 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.811 0.339 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -121.99 164.85 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.51 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.821 HD13 ' HA3' ' A' ' 62' ' ' GLY . 32.9 mm -128.07 77.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.45 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.575 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -60.15 154.97 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.647 -178.494 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.596 HG13 HG22 ' A' ' 60' ' ' VAL . 1.2 mp -148.23 101.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.824 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 124' ' ' HIS . 2.1 mtt180 -121.41 138.23 54.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.156 0.503 . . . . 0.0 112.026 -178.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.747 ' CG2' HG22 ' A' ' 56' ' ' THR . 89.7 mt -87.42 157.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.723 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' HG22 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -138.84 82.95 1.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.981 179.164 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.607 ' HG3' HG23 ' A' ' 56' ' ' THR . 2.6 tt0 -87.65 99.15 11.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.476 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -76.85 119.57 20.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.198 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 71.36 21.47 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.651 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.97 27.57 72.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.885 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' THR . 9.0 mtt180 -142.7 -63.32 0.42 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.701 0.251 . . . . 0.0 111.373 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -61.83 77.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.747 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -79.54 129.7 34.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.212 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.895 HD23 ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -140.57 107.33 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -76.43 133.03 39.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.288 -179.718 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.541 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -121.79 130.84 53.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.867 0.365 . . . . 0.0 111.028 179.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.615 HG11 HG12 ' A' ' 63' ' ' ILE . 54.6 t -97.34 128.29 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -113.43 81.66 1.55 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.302 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.821 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 167.86 -33.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.742 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.907 HG23 ' CD2' ' A' ' 67' ' ' TYR . 34.0 mm -54.18 140.75 10.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.072 0.463 . . . . 0.0 111.319 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.643 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -86.59 139.42 30.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.412 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -61.0 -21.02 63.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.07 -29.2 70.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.821 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.907 ' CD2' HG23 ' A' ' 63' ' ' ILE . 3.8 m-30 -51.56 142.1 14.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.35 101.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.31 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -41.99 -43.41 3.15 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.52 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 3.6 ptpp? -69.73 -41.0 75.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.75 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -4.22 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.86 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.886 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -104.75 -71.18 0.75 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.422 -179.708 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.415 HG13 ' CD1' ' A' ' 96' ' ' ILE . 31.0 m -77.81 -41.97 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.51 0.195 . . . . 0.0 111.403 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -63.62 -47.06 82.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -61.71 -45.26 94.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.831 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.754 ' CD2' HD22 ' A' ' 98' ' ' LEU . 5.1 t80 -45.3 -56.13 5.21 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.825 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 4.3 mtpm? -55.66 -22.76 24.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.192 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.01 -18.19 54.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.768 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -108.61 -42.75 4.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.49 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.495 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -115.43 -16.94 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.767 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 65.91 33.48 7.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.875 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.6 m -100.64 144.31 29.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.777 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.7 98.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.794 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.77 139.49 14.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 97' ' ' GLN . 80.3 p -139.59 148.4 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 86' ' ' VAL . 7.1 p -109.5 95.0 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.745 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 pt -108.78 150.99 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.926 0.394 . . . . 0.0 111.668 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -98.74 75.04 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.925 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -52.06 139.02 34.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.545 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.21 -24.78 5.32 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.63 2.22 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 24.1 mt-10 -83.67 -26.84 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.442 ' CG ' ' OE1' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -112.08 -51.94 2.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.906 0.384 . . . . 0.0 110.797 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.65 96.97 1.86 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 65.55 92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 61' ' ' GLN . 31.2 m -142.91 149.02 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.6 OUTLIER -92.42 117.67 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.322 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.613 ' HG2' HD22 ' A' ' 57' ' ' LEU . 1.8 tt0 -96.89 110.87 23.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.772 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.895 ' O ' HD23 ' A' ' 57' ' ' LEU . 8.6 mt -104.93 156.85 17.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.928 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.69 142.09 27.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 111.652 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.65 177.23 50.13 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.624 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -77.97 75.63 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.356 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.445 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -92.04 6.33 46.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.742 -179.358 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.44 ' HG2' HD11 ' A' ' 48' ' ' ILE . 4.1 ptt180 -44.57 -31.21 1.06 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.856 0.36 . . . . 0.0 111.06 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.45 -24.22 15.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.039 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -81.74 -41.41 21.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.541 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.834 HD13 HD11 ' A' ' 98' ' ' LEU . 6.0 tp -67.39 -48.31 78.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.665 ' HB2' HD22 ' A' ' 121' ' ' LEU . 29.2 p -53.68 -33.47 55.49 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -53.32 31.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.723 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.948 ' CE2' HD13 ' A' ' 113' ' ' ILE . 63.6 t80 -55.81 -47.66 76.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.866 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.714 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.7 mp -55.0 -30.56 59.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.864 HG21 HD11 ' A' ' 121' ' ' LEU . 64.8 t -94.56 -25.66 4.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.073 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.53 -40.68 49.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.019 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.979 HD11 HD22 ' A' ' 115' ' ' LEU . 12.9 pt -90.12 -23.91 5.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.765 0.316 . . . . 0.0 111.3 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.76 29.85 7.51 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.858 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.979 HD22 HD11 ' A' ' 113' ' ' ILE . 2.5 tp -78.68 -73.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 0.0 110.746 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.776 ' HB2' HG21 ' A' ' 44' ' ' ILE . . . -84.17 -167.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.433 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.48 151.47 51.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.531 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.741 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.1 p-10 -61.42 -28.92 69.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.418 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -80.27 -15.85 56.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.875 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -111.62 0.66 16.45 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.196 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.864 HD11 HG21 ' A' ' 111' ' ' VAL . 13.9 mt -64.65 76.8 0.04 OUTLIER 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.808 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -93.39 79.26 4.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.752 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.4 p -87.69 121.02 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.616 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 47' ' ' ARG . 71.9 m-70 -130.63 137.83 49.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -104.47 126.84 8.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.084 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.185 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 121.061 0.458 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -60.63 165.17 4.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.019 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.508 HD12 HD13 ' A' ' 63' ' ' ILE . 50.8 mm -116.51 103.51 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.102 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.654 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -63.92 139.93 58.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.621 -178.634 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.654 HD12 ' C ' ' A' ' 45' ' ' HIS . 1.6 mp -136.8 104.05 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.811 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -125.45 144.96 50.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.351 0.596 . . . . 0.0 112.433 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.869 HG23 HG22 ' A' ' 56' ' ' THR . 8.0 mt -97.43 149.77 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.371 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 49' ' ' GLN . 7.1 pt20 -140.15 88.77 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.093 0.473 . . . . 0.0 110.962 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.1 tt0 -92.4 95.47 9.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.543 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -55.57 -36.03 66.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -127.82 -152.22 0.51 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.025 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.98 36.23 3.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.457 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' THR . 11.5 ptp180 173.19 -27.27 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.432 0.158 . . . . 0.0 111.418 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -67.67 65.74 0.08 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.947 0.403 . . . . 0.0 110.786 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.869 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -84.94 151.74 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.157 -179.603 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.461 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 5.1 mt -151.0 72.66 1.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.985 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 90.9 m -51.67 141.7 16.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.344 . . . . 0.0 111.361 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.436 ' CG2' ' HG3' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -123.37 157.29 33.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 179.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.57 HG12 HG12 ' A' ' 63' ' ' ILE . 53.8 t -130.41 121.3 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.051 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.2 139.94 51.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.464 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.41 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 115.07 -30.24 6.91 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.135 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.798 HG23 ' CE2' ' A' ' 67' ' ' TYR . 9.2 mm -56.44 145.18 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.02 0.438 . . . . 0.0 111.085 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.623 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -82.48 133.33 35.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.478 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.06 -18.61 61.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.678 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.85 -25.57 66.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.711 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.798 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.7 m-30 -49.4 167.59 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.75 81.86 8.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.275 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.76 ' HD3' HG21 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -36.97 -42.96 0.43 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.523 -179.58 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -63.07 -68.73 0.31 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.574 179.557 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -58.94 -18.85 37.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.431 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.706 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.2 tt -65.55 -68.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.423 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.894 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.11 -40.52 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.667 -179.585 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -50.49 -41.81 53.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.957 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.8 74.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.66 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.485 ' CE2' HD22 ' A' ' 98' ' ' LEU . 11.7 t80 -59.88 -47.61 85.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.579 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -64.82 -13.79 56.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.362 179.678 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -100.73 -20.03 15.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.677 0.275 . . . . 0.0 111.301 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 2.3 tttm -96.67 -34.35 11.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.615 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.541 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 6.6 m-85 -119.63 -17.58 8.6 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.24 32.37 1.0 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.956 0.407 . . . . 0.0 110.781 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 23.0 m -108.54 -175.01 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.62 123.52 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 0.0 110.539 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -121.24 119.17 4.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.404 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.579 ' O ' HD13 ' A' ' 96' ' ' ILE . 70.2 p -117.7 162.28 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 111.112 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.76 HG21 ' HD3' ' A' ' 69' ' ' LYS . 8.5 p -113.36 69.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 89' ' ' HIS . 1.2 pp -76.21 153.68 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.544 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -106.96 71.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.291 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.2 t-80 -52.71 130.86 46.79 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.219 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -15.61 21.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.42 2.08 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.92 -24.6 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -119.32 -53.76 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.93 98.96 2.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.653 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 61.84 86.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.0 111.189 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.78 146.17 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.894 HD12 ' CG1' ' A' ' 73' ' ' VAL . 1.2 mm -84.87 121.84 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.893 0.378 . . . . 0.0 110.231 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.436 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER -99.72 112.29 24.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.716 -178.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.817 HD11 HD13 ' A' ' 106' ' ' ILE . 2.8 mt -99.95 157.77 16.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.046 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -94.84 133.16 38.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.87 165.01 40.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.411 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.457 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 30.5 p-10 -65.43 80.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.783 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.49 ' O ' HG22 ' A' ' 106' ' ' ILE . 10.4 mm-40 -87.05 -0.05 56.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.732 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -30.25 0.38 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.762 0.315 . . . . 0.0 111.519 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.68 -23.76 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.144 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.66 -41.94 13.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.385 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.817 HD13 HD11 ' A' ' 98' ' ' LEU . 7.9 tp -65.78 -51.06 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.254 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.733 ' HB2' HD22 ' A' ' 121' ' ' LEU . 26.5 p -55.94 -36.73 68.07 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -32.94 67.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.55 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.849 ' CE2' HD13 ' A' ' 113' ' ' ILE . 78.7 t80 -73.14 -46.4 51.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.448 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.1 mp -56.63 -30.21 63.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.76 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 107' ' ' CYS . 57.5 t -91.6 -30.47 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.27 -42.11 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.849 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.8 pt -88.95 -30.03 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.342 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.17 31.81 5.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.656 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.706 HD21 ' HG ' ' A' ' 72' ' ' LEU . 5.7 tp -77.42 -70.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.732 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -92.13 -171.43 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.425 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.02 149.59 33.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.447 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.432 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.0 m-20 -58.41 -30.62 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 110.598 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.1 -27.52 39.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.271 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB3' HG12 ' A' ' 44' ' ' ILE . 18.3 mt-30 -84.6 -3.84 58.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.256 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.733 HD22 ' HB2' ' A' ' 107' ' ' CYS . 51.7 mt -57.68 88.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.816 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -101.67 69.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.044 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 123' ' ' VAL . 9.5 p -78.35 114.46 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 90.7 m-70 -111.84 -34.78 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.363 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.01 -113.61 4.9 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.119 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.946 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.858 0.361 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.427 ' O ' HD12 ' A' ' 44' ' ' ILE . 19.6 m-30 -65.11 161.75 18.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.192 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.858 HG21 HD21 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -112.52 104.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.02 179.503 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.724 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -68.42 147.6 51.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.949 -179.206 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.724 HD12 ' C ' ' A' ' 45' ' ' HIS . 1.6 mp -146.74 106.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.027 179.016 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -138.56 125.57 21.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.953 HG23 HG22 ' A' ' 56' ' ' THR . 34.7 mt -63.51 158.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.632 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.489 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.6 pt20 -152.08 76.61 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.151 0.5 . . . . 0.0 110.403 178.314 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.1 tt0 -76.24 98.12 4.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.791 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -56.06 -39.08 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -125.15 -152.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.082 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.55 38.6 3.19 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.548 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' THR . 2.4 ptp180 170.87 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.55 0.175 . . . . 0.0 111.412 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 1.8 mmpt? -68.29 65.15 0.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.981 0.42 . . . . 0.0 110.76 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.953 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -80.6 132.01 35.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.052 -179.594 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.54 HD22 HE21 ' A' ' 97' ' ' GLN . 10.3 mt -130.08 75.62 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.394 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 87.6 m -58.48 113.65 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.666 0.27 . . . . 0.0 110.849 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -96.9 170.66 9.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.955 0.407 . . . . 0.0 111.467 -179.803 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.525 HG22 HG13 ' A' ' 46' ' ' ILE . 70.5 t -137.01 113.93 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.059 179.633 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.443 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -101.19 74.75 1.59 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.721 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.25 -54.85 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.62 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.838 HG21 HD11 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -54.7 149.29 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.981 0.419 . . . . 0.0 110.772 179.904 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.36 162.8 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.381 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.9 -11.39 60.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.011 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -95.14 27.57 3.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.811 0.338 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.773 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.8 m-30 -95.34 37.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.669 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 2.7 t0 81.47 -16.39 0.64 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.666 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 tttt 64.83 -74.06 0.05 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.699 0.285 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -60.6 -68.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.704 179.785 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -48.66 -24.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.838 HD11 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -68.88 -77.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.424 -179.802 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.534 HG21 ' N ' ' A' ' 85' ' ' THR . 4.8 p -86.31 -40.52 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.066 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -52.25 -42.25 63.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 111.088 -179.856 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.57 71.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.824 ' CE2' HD22 ' A' ' 98' ' ' LEU . 6.8 t80 -53.94 -46.51 71.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.463 179.376 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 2.4 mttt -66.35 -15.01 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.128 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -97.6 -20.75 17.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.248 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 3.5 tttm -96.15 -48.63 5.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.581 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.56 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 4.1 m-85 -103.34 -20.34 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.317 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.94 34.19 0.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.018 0.437 . . . . 0.0 110.713 -179.315 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 30.6 m -116.52 166.06 12.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.653 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -85.74 141.81 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.681 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.513 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -150.99 152.49 24.29 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.748 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.534 ' N ' HG21 ' A' ' 73' ' ' VAL . 30.2 p -147.24 162.61 38.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 86' ' ' VAL . 9.2 p -115.4 69.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pp -79.14 157.49 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.602 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -109.54 69.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.381 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.1 t-80 -49.51 128.7 18.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.273 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.59 -16.76 23.89 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.47 2.113 . . . . 0.0 112.165 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.87 -26.56 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.438 ' HD2' HG21 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -113.71 -52.93 2.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.39 95.2 2.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.781 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 58.75 92.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 0.0 111.199 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 61' ' ' GLN . 29.5 m -142.14 141.38 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.3 mm -79.68 127.65 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.54 HE21 HD22 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -104.84 108.87 20.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.445 -179.153 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.01 HD11 HD13 ' A' ' 106' ' ' ILE . 15.0 mt -97.59 156.89 16.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.116 179.098 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -100.75 124.63 46.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.23 167.76 32.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.357 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.47 ' HB2' HD11 ' A' ' 48' ' ' ILE . 8.3 p-10 -67.99 73.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.546 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.483 ' O ' HG22 ' A' ' 106' ' ' ILE . 13.9 mm-40 -86.51 2.9 46.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.735 -179.404 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -43.4 -29.69 0.46 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.703 0.287 . . . . 0.0 111.481 -179.774 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -102.65 -21.61 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.193 179.81 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -86.65 -38.06 17.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.477 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 1.01 HD13 HD11 ' A' ' 98' ' ' LEU . 5.5 tp -69.05 -49.17 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.283 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.615 ' HB2' HD22 ' A' ' 121' ' ' LEU . 25.9 p -53.03 -34.57 57.02 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 178.514 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -65.59 -45.34 83.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.88 178.664 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.78 ' CE1' HG21 ' A' ' 113' ' ' ILE . 35.7 t80 -55.9 -54.0 50.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.191 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.858 HD21 HG21 ' A' ' 44' ' ' ILE . 6.7 mp -54.28 -29.25 46.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.507 HG23 HD21 ' A' ' 121' ' ' LEU . 62.0 t -92.97 -23.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.257 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 108' ' ' GLN . 4.8 mm-40 -85.24 -46.9 10.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 1.02 HD11 HD22 ' A' ' 115' ' ' LEU . 2.4 pt -90.65 16.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.878 -179.21 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 50.88 49.28 42.39 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.562 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.02 HD22 HD11 ' A' ' 113' ' ' ILE . 8.0 tp -94.93 -68.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.913 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.735 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -99.56 178.66 4.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.751 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.61 155.49 18.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.502 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.438 ' HA ' HD12 ' A' ' 121' ' ' LEU . 4.8 m-20 -61.71 -28.15 69.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.28 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.23 -21.29 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.24 179.036 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.437 ' HB3' HD13 ' A' ' 44' ' ' ILE . 13.1 mt-30 -91.25 -4.44 55.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.108 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.615 HD22 ' HB2' ' A' ' 107' ' ' CYS . 31.2 mt -62.34 79.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.031 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 120' ' ' GLN . 9.7 mmtt -94.36 73.48 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.32 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 123' ' ' VAL . 12.0 p -89.8 120.37 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.709 -179.358 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.411 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 34.0 m-70 -111.71 -34.33 6.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.465 179.394 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 46.03 61.4 3.97 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.305 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.094 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.897 0.379 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.489 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.1 m-30 -67.12 172.71 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 61' ' ' GLN . 24.0 mm -109.9 98.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.066 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.541 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -72.68 119.74 17.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.284 -178.79 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.691 HD12 ' CG2' ' A' ' 106' ' ' ILE . 40.5 mm -80.55 -96.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.649 178.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 5.1 tpp180 89.39 131.75 0.03 OUTLIER 'General case' 0 C--N 1.346 0.439 0 CA-C-O 121.149 0.499 . . . . 0.0 112.009 179.118 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.909 HD11 ' HA ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -111.26 171.75 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.392 179.545 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.605 ' N ' HG23 ' A' ' 48' ' ' ILE . 2.4 pt20 -162.13 99.77 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 178.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 18.0 tt0 -106.64 116.1 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.501 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.81 142.99 32.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.389 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.6 t30 61.86 20.47 11.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.887 -179.585 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.57 43.21 99.59 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.81 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -173.73 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 111.57 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 2.4 tptm -70.09 65.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 111.284 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -75.54 143.05 42.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 179.804 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.722 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.9 mt -149.76 101.73 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.706 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.3 m -82.28 116.08 21.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.587 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -91.53 172.18 8.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 179.634 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.505 HG22 HG12 ' A' ' 106' ' ' ILE . 86.1 t -140.14 119.48 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.639 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -116.56 153.29 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.723 179.761 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.53 -25.7 26.87 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.215 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.863 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.0 mm -72.88 146.43 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 111.152 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.635 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -83.53 140.31 32.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -66.52 -12.78 59.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -96.08 30.25 2.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.473 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.863 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.2 m-30 -87.23 34.58 0.69 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.646 0.26 . . . . 0.0 111.465 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' LYS . 11.8 t0 77.91 -11.79 1.16 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.08 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.746 0.308 . . . . 0.0 111.223 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 12.8 mmtp -52.07 -66.03 0.46 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.121 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 1.3 tppt? -46.49 -25.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.577 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HG ' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -68.68 -71.21 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.549 -179.794 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.844 ' CG1' HD12 ' A' ' 96' ' ' ILE . 2.6 m -90.94 -41.29 13.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.598 -179.466 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 19.6 tptt -50.14 -40.69 47.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 110.564 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -73.26 -31.68 64.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.671 179.712 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.785 ' CD2' HD22 ' A' ' 98' ' ' LEU . 15.4 t80 -57.02 -41.35 78.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.619 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 13.4 mtmt -69.8 -14.09 62.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.019 179.587 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -92.03 -19.24 22.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.804 179.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -99.09 -45.54 5.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.497 -179.604 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.418 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -119.72 -10.53 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.219 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 64.18 45.23 4.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.008 0.432 . . . . 0.0 110.817 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -113.28 138.14 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.78 104.31 0.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.01 112.55 4.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.223 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.4 p -111.84 150.09 30.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.735 ' HA ' HD13 ' A' ' 96' ' ' ILE . 10.1 p -103.67 65.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.9 pt -68.69 157.24 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 111.486 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -112.61 73.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.21 179.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.428 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.5 t-80 -55.73 142.26 63.37 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.404 -179.369 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 88.7 Cg_endo -81.49 -24.45 4.35 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.689 2.259 . . . . 0.0 112.577 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 11.5 mt-10 -82.95 -21.19 34.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.073 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.4 ' HD2' HG21 ' A' ' 95' ' ' VAL . 1.5 m-85 -119.0 -50.41 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.0 97.16 1.69 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.636 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.79 87.72 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.62 HG11 ' HG3' ' A' ' 61' ' ' GLN . 17.1 m -141.78 137.94 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.728 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.844 HD12 ' CG1' ' A' ' 73' ' ' VAL . 6.9 mm -71.53 149.87 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.48 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.722 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -129.76 86.86 2.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.827 0.346 . . . . 0.0 111.235 -179.419 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.042 HD11 HD13 ' A' ' 106' ' ' ILE . 7.1 mt -70.55 157.53 37.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.414 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.68 144.89 25.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.664 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.54 176.12 38.83 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.883 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.909 ' HA ' HD11 ' A' ' 48' ' ' ILE . 25.7 p-10 -79.64 92.82 5.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.049 0.452 . . . . 0.0 110.761 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -105.21 10.23 33.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.087 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -27.2 2.14 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.76 0.314 . . . . 0.0 111.197 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.58 -25.13 14.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.165 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -84.0 -39.82 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 1.042 HD13 HD11 ' A' ' 98' ' ' LEU . 7.7 tp -62.17 -51.4 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.108 -179.703 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.544 ' N ' HG23 ' A' ' 106' ' ' ILE . 1.3 m -57.68 -33.31 68.22 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.302 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -73.08 -32.42 65.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.576 178.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.922 ' CE2' HD13 ' A' ' 113' ' ' ILE . 79.5 t80 -74.2 -47.76 33.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.602 179.534 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.3 mp -56.63 -29.79 62.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.799 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 107' ' ' CYS . 61.7 t -91.08 -29.36 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.58 -46.26 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.792 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.922 HD13 ' CE2' ' A' ' 109' ' ' PHE . 10.1 pt -85.2 -19.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.394 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.44 31.52 16.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.628 -179.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.907 HD22 HD11 ' A' ' 113' ' ' ILE . 5.8 tp -76.41 -69.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.928 -179.72 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.574 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -92.91 -169.52 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 144.7 43.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.474 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 2.9 p30 -53.02 -30.49 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.937 -179.808 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -79.73 -28.44 40.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.332 179.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.489 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 33.8 mt-30 -80.41 -11.09 59.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.348 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 65.2 mt -50.62 89.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 111.213 -179.486 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -110.74 81.95 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.411 179.786 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.9 p -91.7 122.63 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.797 -179.351 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.541 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 19.6 m-70 -132.4 37.74 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.137 179.343 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.578 ' HA2' ' HB ' ' A' ' 48' ' ' ILE . . . -53.74 91.51 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.898 -0.667 . . . . 0.0 113.059 -179.477 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.443 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.035 179.609 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.125 0.488 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -60.73 167.09 2.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.957 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.539 HD12 HD13 ' A' ' 63' ' ' ILE . 35.2 mm -117.05 100.13 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.388 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.508 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -74.73 132.05 41.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.109 -178.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.702 HD12 ' CG2' ' A' ' 106' ' ' ILE . 27.9 mm -93.41 -99.72 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.15 178.746 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 91.28 130.14 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.336 0.588 . . . . 0.0 112.22 178.703 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.899 HD11 ' HA ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -105.79 171.94 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.865 179.097 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.61 ' N ' HG23 ' A' ' 48' ' ' ILE . 2.4 pt20 -161.32 99.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.137 0.494 . . . . 0.0 111.098 178.668 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.536 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 11.6 tt0 -107.35 94.83 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.685 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -53.64 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -81.83 -150.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.637 179.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.78 35.29 4.13 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.302 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' THR . 8.2 ptm180 178.86 -27.48 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.42 67.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.805 0.336 . . . . 0.0 111.288 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -85.4 163.1 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.933 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.833 HD23 ' O ' ' A' ' 98' ' ' LEU . 1.7 mt -162.01 93.92 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.5 m -72.53 117.77 14.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.069 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -99.48 162.92 12.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.962 0.41 . . . . 0.0 111.203 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 106' ' ' ILE . 54.7 t -133.04 114.93 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.061 179.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.675 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -114.92 140.27 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.449 179.744 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.44 -29.89 7.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.898 -179.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.847 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.6 mm -64.89 146.96 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 110.621 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.803 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -67.58 162.04 24.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.253 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.59 20.23 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.81 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -142.31 37.72 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.814 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.847 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.5 m-30 -86.92 35.75 0.7 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t70 76.24 -5.68 2.14 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 tttp 58.43 -80.52 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.724 0.297 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ASP . 24.9 mttm -50.15 -60.94 2.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.957 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -47.67 -24.81 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.434 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.739 HD13 HG13 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -70.08 -69.73 0.33 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.525 -179.771 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.917 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -86.13 -41.52 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.404 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 18.2 tttp -48.03 -40.96 24.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.024 0.44 . . . . 0.0 110.65 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -33.86 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.622 179.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.564 ' CZ ' HD23 ' A' ' 98' ' ' LEU . 9.4 t80 -60.86 -56.51 20.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 34.0 mtmt -57.03 -20.51 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.299 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -93.97 -21.85 18.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.221 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.419 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 1.4 tttm -96.42 -31.61 12.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.525 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 17.7 m-85 -120.27 -15.46 8.63 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.179 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.36 29.58 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 0.0 110.716 -179.582 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.0 m -102.78 -162.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.6 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -121.03 119.79 33.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 110.334 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.476 ' HA2' HD12 ' A' ' 98' ' ' LEU . . . -114.46 114.43 3.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.334 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.621 ' O ' HD13 ' A' ' 96' ' ' ILE . 18.2 p -114.96 158.57 21.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 0.0 111.18 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.64 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.6 p -111.76 105.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -117.46 154.27 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.389 -179.853 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.7 74.77 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.012 0.434 . . . . 0.0 110.45 179.351 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.2 t-80 -55.76 138.56 70.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.359 -179.752 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.69 -19.6 9.81 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.715 2.276 . . . . 0.0 112.285 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.454 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -81.94 -25.02 35.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.986 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.501 ' HD2' HG21 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -118.86 -52.01 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.59 90.02 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.561 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 71.92 91.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 111.008 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.675 HG12 ' HA ' ' A' ' 61' ' ' GLN . 16.7 m -143.59 148.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.917 HD12 ' CG1' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -83.93 126.17 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.369 179.807 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.506 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -100.67 109.39 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.907 -178.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.833 ' O ' HD23 ' A' ' 57' ' ' LEU . 2.7 mp -91.93 164.43 13.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.594 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.3 140.36 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 111.19 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.16 -169.9 54.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.407 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.899 ' HA ' HD11 ' A' ' 48' ' ' ILE . 6.6 p-10 -90.22 87.03 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.081 0.467 . . . . 0.0 110.584 179.753 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.428 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.4 OUTLIER -105.22 4.02 30.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.138 -179.819 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.429 ' HG2' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -48.02 -28.02 2.57 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.785 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.13 -27.0 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.972 179.749 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -86.44 -32.12 21.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.115 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.702 ' CG2' HD12 ' A' ' 46' ' ' ILE . 9.2 tp -65.44 -50.28 73.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.041 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.728 ' HB2' HD22 ' A' ' 121' ' ' LEU . 6.3 p -57.12 -36.3 70.51 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.252 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.9 -31.75 64.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.4 178.514 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.702 ' CE1' HG21 ' A' ' 113' ' ' ILE . 67.7 t80 -73.5 -44.15 58.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.352 179.312 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.684 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 3.8 mp -58.98 -29.57 67.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.781 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 107' ' ' CYS . 46.9 t -92.38 -29.35 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.46 -41.48 72.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.894 HD11 HD22 ' A' ' 115' ' ' LEU . 8.9 pt -89.85 -25.56 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.179 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.44 28.82 8.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.798 -179.274 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.894 HD22 HD11 ' A' ' 113' ' ' ILE . 4.3 tp -76.79 -71.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.802 -179.839 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.684 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -91.35 -178.35 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 179.563 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.19 153.77 27.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.673 179.621 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.428 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 6.7 p-10 -59.64 -29.06 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -23.72 39.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.281 179.25 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 122' ' ' LYS . 13.1 mt-30 -91.22 -3.52 56.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.879 179.45 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.728 HD22 ' HB2' ' A' ' 107' ' ' CYS . 29.4 mt -57.32 86.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.985 0.421 . . . . 0.0 111.029 -179.693 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 120' ' ' GLN . 14.0 mmtt -109.21 80.2 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.373 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 123' ' ' VAL . 12.7 p -92.78 125.83 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.863 -179.245 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.508 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 12.9 m-70 -136.27 42.6 2.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.539 179.492 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.491 ' HA2' ' HB ' ' A' ' 48' ' ' ILE . . . -58.32 87.75 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.805 -179.544 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.999 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.904 0.383 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.478 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.0 m-30 -61.5 175.74 0.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.461 HG12 ' HB3' ' A' ' 120' ' ' GLN . 29.7 mm -114.64 101.06 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.272 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.483 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -64.5 143.07 58.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.186 -179.003 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.578 HG13 HG22 ' A' ' 60' ' ' VAL . 1.2 mp -137.21 103.58 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.267 178.759 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.9 mmm-85 -123.32 138.31 54.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 0.0 111.847 -178.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.696 HG23 HG22 ' A' ' 56' ' ' THR . 20.0 mt -92.84 154.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.855 179.379 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.422 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.3 pt20 -139.22 92.43 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.487 179.163 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.548 ' HG3' HG23 ' A' ' 56' ' ' THR . 3.0 tt0 -92.96 116.63 29.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.561 -179.242 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.08 126.12 37.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.169 179.307 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.71 21.64 11.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.733 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.65 35.53 92.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.733 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' THR . 50.2 mtt-85 -153.57 -64.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.681 0.24 . . . . 0.0 111.392 179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.06 81.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.591 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.734 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -83.91 140.68 31.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.398 -179.419 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.823 HD23 ' HG2' ' A' ' 97' ' ' GLN . 1.4 mp -145.74 116.29 7.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.198 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -92.47 128.66 38.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 111.347 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.891 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -109.69 149.66 29.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.06 179.715 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.578 HG22 HG13 ' A' ' 46' ' ' ILE . 71.4 t -123.8 123.82 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.65 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.739 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -114.74 139.83 49.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.527 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.03 -28.3 8.09 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.079 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.909 HG23 ' CE2' ' A' ' 67' ' ' TYR . 4.6 mm -61.16 147.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.691 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.674 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -90.28 129.29 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.486 -179.352 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -57.93 -21.45 43.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.558 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -26.22 68.21 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.909 ' CE2' HG23 ' A' ' 63' ' ' ILE . 7.0 m-30 -48.45 172.43 0.01 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.811 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' LEU . 10.3 t0 -80.05 62.56 4.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.079 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.419 ' HA ' ' HB2' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -30.37 -55.58 0.19 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.22 -179.446 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -48.32 -48.14 36.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HA ' ' HB3' ' A' ' 74' ' ' LYS . 17.4 mttm -89.61 -14.96 33.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.529 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.908 HD21 HD21 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -58.44 -45.54 88.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.762 0.315 . . . . 0.0 111.053 -179.7 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.891 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -101.43 -30.89 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.153 179.613 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 71' ' ' LYS . 0.7 OUTLIER -60.22 -42.94 96.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.499 179.821 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.3 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.284 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.681 ' CD2' HD22 ' A' ' 98' ' ' LEU . 13.0 t80 -60.36 -43.71 96.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.379 179.35 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -65.64 -15.47 62.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.307 179.823 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -95.72 -18.93 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.358 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -103.97 -37.62 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.671 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 6.1 m-85 -114.45 -16.82 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.479 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 67.47 35.28 4.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.985 0.421 . . . . 0.0 110.636 -179.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.1 m -113.05 157.24 21.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.717 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.28 113.73 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.52 113.34 3.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.296 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 96' ' ' ILE . 30.8 p -118.71 155.98 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 111.273 -179.644 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.59 ' HA ' HD13 ' A' ' 96' ' ' ILE . 13.9 p -103.39 121.47 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.533 HG13 HG23 ' A' ' 95' ' ' VAL . 2.3 pt -128.7 147.24 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.826 0.346 . . . . 0.0 111.342 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -101.9 74.18 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.051 0.453 . . . . 0.0 110.259 179.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.444 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.6 t-80 -53.43 142.91 38.45 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.522 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 86.4 Cg_endo -81.61 -27.63 2.58 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.682 2.255 . . . . 0.0 112.418 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.34 -20.36 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.255 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.413 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 1.5 m-85 -119.44 -49.8 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.165 -179.629 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.41 101.8 1.3 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.649 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 64.94 94.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 111.228 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.739 HG12 ' HA ' ' A' ' 61' ' ' GLN . 28.8 m -144.7 151.31 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.891 HD12 ' CG1' ' A' ' 73' ' ' VAL . 1.5 mm -96.46 124.97 49.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.252 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.891 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.2 tt0 -100.49 110.1 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.81 -179.086 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.922 HD11 HD13 ' A' ' 106' ' ' ILE . 3.6 mt -93.59 159.67 15.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.707 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.74 143.16 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.941 0.4 . . . . 0.0 111.266 -179.604 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.94 169.91 25.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.428 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.432 ' HA ' HD13 ' A' ' 48' ' ' ILE . 4.4 p-10 -68.81 92.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.618 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.461 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -106.82 6.78 29.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.581 -179.637 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -44.83 -29.56 0.82 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.709 0.29 . . . . 0.0 111.592 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -101.52 -20.8 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.268 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -87.93 -38.23 15.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.441 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.922 HD13 HD11 ' A' ' 98' ' ' LEU . 5.4 tp -66.73 -49.92 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.374 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.78 ' HB2' HD22 ' A' ' 121' ' ' LEU . 7.2 p -53.12 -34.42 56.63 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.592 0.711 . . . . 0.0 109.173 178.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -66.42 -51.5 56.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.978 178.786 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.799 ' CE2' HD13 ' A' ' 113' ' ' ILE . 67.3 t80 -52.57 -54.38 33.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.267 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.707 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 6.0 mp -54.44 -28.77 46.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.021 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.562 HG21 HD11 ' A' ' 121' ' ' LEU . 62.0 t -93.32 -24.67 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.201 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 108' ' ' GLN . 3.5 mm-40 -79.02 -45.77 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.871 HD11 HD22 ' A' ' 115' ' ' LEU . 12.5 pt -83.79 -15.24 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.441 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.69 32.31 18.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.56 -179.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.908 HD21 HD21 ' A' ' 72' ' ' LEU . 6.1 tp -80.84 -74.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.659 0.266 . . . . 0.0 111.143 -179.509 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.707 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -83.76 -163.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.322 179.545 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.76 146.9 46.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.324 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -57.91 -32.02 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 0.0 110.526 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.0 -27.26 43.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.154 179.122 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.478 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 32.3 mt-30 -81.48 -11.29 59.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.174 179.586 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 107' ' ' CYS . 64.1 mt -52.17 91.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.042 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.07 75.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.962 -179.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.5 p -86.7 118.84 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.427 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 69.4 m-70 -114.94 -31.16 6.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.366 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 62.57 -115.41 7.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.277 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.916 0.389 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.572 ' O ' HD13 ' A' ' 44' ' ' ILE . 13.9 m-30 -82.59 173.96 11.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.602 -179.278 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 43' ' ' TYR . 50.6 mm -131.49 82.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.322 179.406 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.553 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -52.79 139.17 27.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.524 -178.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.673 HD12 ' CG2' ' A' ' 106' ' ' ILE . 24.4 mm -99.68 -99.73 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.929 178.544 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.494 ' N ' HG22 ' A' ' 46' ' ' ILE . 1.3 tmt_? 86.58 123.38 0.03 OUTLIER 'General case' 0 C--N 1.345 0.401 0 CA-C-O 121.182 0.515 . . . . 0.0 112.285 178.647 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.518 ' CG2' HG22 ' A' ' 56' ' ' THR . 8.4 mt -105.26 155.54 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.281 179.087 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.427 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.2 pt20 -138.26 99.14 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.918 0.39 . . . . 0.0 110.684 179.497 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.466 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 2.1 tt0 -97.52 113.2 24.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.221 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.23 121.36 36.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.38 179.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.5 t30 73.46 22.69 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.54 44.97 97.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.545 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -171.74 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -72.48 63.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.683 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.518 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -72.7 134.27 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 98' ' ' LEU . 2.4 mt -144.17 99.39 3.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.5 m -72.65 135.44 45.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -117.22 153.59 32.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 111.315 179.846 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.486 ' CG2' HG12 ' A' ' 106' ' ' ILE . 61.8 t -123.4 121.51 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.095 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.592 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -118.42 140.06 50.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.493 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.47 -24.83 13.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.274 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.859 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -69.08 146.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -80.28 141.6 35.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -68.97 -10.64 58.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.19 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -94.31 26.27 3.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.488 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.859 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.5 m-30 -87.97 31.78 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.562 0.22 . . . . 0.0 111.275 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t70 78.19 -11.5 1.2 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.733 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.9 -79.73 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.661 0.267 . . . . 0.0 111.259 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -52.37 -66.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.123 -179.823 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -47.45 -26.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.434 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 115' ' ' LEU . 1.0 OUTLIER -63.49 -69.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.214 -179.934 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.59 HG21 ' C ' ' A' ' 84' ' ' GLY . 8.1 p -82.7 -38.36 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.645 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.01 -43.95 40.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.97 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -62.18 -31.92 72.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 179.513 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 98' ' ' LEU . 5.9 t80 -60.64 -45.63 93.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.493 179.617 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -10.39 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -105.71 -20.45 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.679 0.276 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.475 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 tmtm? -95.54 -39.02 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.299 -179.771 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.554 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 11.1 m-85 -112.38 -21.41 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.445 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.8 33.3 0.62 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.892 0.377 . . . . 0.0 110.591 -179.459 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.1 m -104.81 -167.3 1.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.75 119.22 29.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.654 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.59 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -125.94 139.96 11.81 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.658 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.3 p -123.3 177.54 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 111.26 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.6 p -124.87 84.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.056 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.75 153.99 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.05 0.452 . . . . 0.0 111.533 -179.592 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -105.12 74.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.33 179.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.44 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.5 t-80 -56.3 143.05 66.43 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.381 -179.476 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 84.2 Cg_endo -82.16 -27.46 2.37 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.639 2.226 . . . . 0.0 112.307 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -80.94 -21.53 40.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.224 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.428 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 1.3 m-85 -119.31 -47.64 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.12 -179.613 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.73 104.63 1.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.672 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 57.29 93.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 61' ' ' GLN . 31.2 m -145.04 144.12 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.522 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -73.71 157.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.445 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.435 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -135.15 97.47 3.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.786 0.327 . . . . 0.0 111.473 -179.221 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.05 HD11 HD13 ' A' ' 106' ' ' ILE . 3.6 mt -85.93 156.38 20.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.328 179.135 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -91.77 143.78 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.178 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.68 176.73 45.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.23 84.06 5.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 110.592 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.489 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -96.03 12.37 30.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.161 -179.784 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -47.7 -28.58 2.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.45 -21.18 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -89.2 -37.3 15.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.149 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 1.05 HD13 HD11 ' A' ' 98' ' ' LEU . 4.8 tp -63.86 -52.0 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.027 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.727 ' HB2' HD22 ' A' ' 121' ' ' LEU . 11.2 p -57.77 -32.5 67.56 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.097 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -70.35 -37.05 74.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.464 178.601 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.864 ' CE2' HD13 ' A' ' 113' ' ' ILE . 73.8 t80 -69.17 -47.51 64.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.236 179.092 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 116' ' ' ALA . 5.6 mp -52.61 -33.01 44.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.891 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.87 -37.47 8.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 109.785 179.247 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 109' ' ' PHE . 1.2 tt0 -61.47 -26.48 67.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.011 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.881 HD11 HD22 ' A' ' 115' ' ' LEU . 7.0 pt -109.86 -27.61 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 111.533 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 101.3 23.19 9.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.985 -179.419 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.881 HD22 HD11 ' A' ' 113' ' ' ILE . 3.3 tp -73.73 -72.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.74 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.665 ' CB ' HD23 ' A' ' 110' ' ' LEU . . . -95.16 166.27 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.403 ' CB ' ' HG3' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -100.88 152.39 20.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.453 179.699 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.7 p-10 -57.33 -27.17 61.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.77 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 -26.16 41.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.455 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 10.4 mt-30 -85.39 -15.54 42.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.145 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.727 HD22 ' HB2' ' A' ' 107' ' ' CYS . 50.5 mt -49.86 110.14 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.633 -179.379 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.473 ' HG3' ' HB3' ' A' ' 43' ' ' TYR . 1.3 mmmm -132.83 80.41 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.742 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.469 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 10.2 p -87.38 121.55 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 -179.368 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.553 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 43.5 m-70 -123.46 75.01 1.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.123 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.76 120.64 23.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.247 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.295 -0.859 . . . . 0.0 111.372 -179.743 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 121.078 0.466 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.411 ' HA ' ' HB3' ' A' ' 120' ' ' GLN . 18.6 m-30 -66.75 166.06 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.038 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.554 HD13 ' HA3' ' A' ' 62' ' ' GLY . 49.3 mm -118.13 106.85 20.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.204 179.425 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.76 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -67.05 143.47 56.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.375 -178.819 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.76 HD12 ' O ' ' A' ' 45' ' ' HIS . 1.6 mp -140.26 101.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.114 178.647 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -126.91 149.69 49.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.302 0.572 . . . . 0.0 112.259 -178.612 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.816 HG23 HG22 ' A' ' 56' ' ' THR . 40.3 mt -101.87 153.43 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.448 179.223 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.484 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 4.4 pt20 -132.9 82.73 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.212 0.53 . . . . 0.0 110.416 178.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.725 ' CG ' HG23 ' A' ' 56' ' ' THR . 1.7 tt0 -96.52 125.85 41.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.733 -179.681 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' ARG . 31.9 mtp85 -91.58 121.42 33.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.067 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.2 t30 55.57 26.5 9.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.97 -4.96 84.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.387 -179.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 4.9 mtp180 -119.86 -171.13 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.709 0.29 . . . . 0.0 110.694 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.83 78.27 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.19 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.816 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -90.48 131.69 36.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.514 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 98' ' ' LEU . 4.9 mt -137.22 94.29 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.027 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 53.3 m -68.61 142.37 55.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.397 -179.741 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.42 ' CG2' ' HG3' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -125.87 143.88 50.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.742 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.518 ' CG2' HG12 ' A' ' 106' ' ' ILE . 59.3 t -118.84 124.57 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.499 ' HG3' ' HB3' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -118.9 138.54 52.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.453 179.69 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.554 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 115.63 -26.82 8.74 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.104 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.876 HG23 ' CE2' ' A' ' 67' ' ' TYR . 11.3 mm -63.19 144.08 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.604 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -85.3 131.7 34.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.242 -179.705 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -60.94 -19.07 60.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.73 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.18 -21.26 65.8 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.876 ' CE2' HG23 ' A' ' 63' ' ' ILE . 6.8 m-30 -48.9 172.78 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.744 0.306 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -52.56 -26.69 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -179.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.69 -76.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.756 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -61.2 2.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.322 179.42 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -22.4 63.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.681 179.338 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.754 ' HG ' HD21 ' A' ' 115' ' ' LEU . 1.8 tt -56.12 -64.24 0.92 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.88 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -86.75 -27.62 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.27 179.829 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -43.18 85.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.921 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.51 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -67.18 -31.96 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -59.12 -54.94 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -59.26 -18.06 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.408 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -96.31 -20.31 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.606 0.241 . . . . 0.0 111.418 -179.684 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -101.93 -31.0 10.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.606 -179.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.494 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 29.6 m-85 -115.75 -17.0 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.492 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 72.09 28.01 2.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.586 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 22.9 m -104.29 -166.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.67 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.08 118.14 30.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.397 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.11 118.48 4.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.389 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.5 p -125.3 143.6 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 111.194 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.629 HG13 HG12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -97.92 101.94 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 179.655 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.706 HD12 ' HB2' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -113.65 154.92 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.941 0.4 . . . . 0.0 111.296 -179.818 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -97.44 75.01 2.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.346 179.407 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.416 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -49.64 140.37 14.56 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.38 -179.672 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.43 -21.02 10.57 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.532 2.155 . . . . 0.0 112.24 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.3 OUTLIER -80.89 -23.57 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.496 ' CD2' HG11 ' A' ' 95' ' ' VAL . 1.3 m-85 -119.06 -49.1 2.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.17 -179.47 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 94' ' ' GLU . . . 116.16 -15.74 15.6 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.946 179.809 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 93' ' ' GLY . 15.0 tt0 177.15 111.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.68 0.276 . . . . 0.0 110.581 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.587 ' O ' HD13 ' A' ' 87' ' ' ILE . 29.9 m -155.54 155.99 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 0.0 111.359 -179.778 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.88 HD12 ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -90.98 122.07 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.063 179.402 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.706 ' HB2' HD12 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -96.66 116.53 29.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.718 -179.047 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.764 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.2 mt -103.43 158.52 16.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.808 178.801 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.88 130.83 44.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.893 0.377 . . . . 0.0 110.786 179.735 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.45 162.11 36.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.176 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.422 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 16.7 p30 -67.46 77.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.516 ' O ' HG22 ' A' ' 106' ' ' ILE . 10.8 mm-40 -84.7 1.55 45.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.466 -179.639 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -29.23 0.27 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.775 0.322 . . . . 0.0 111.635 -179.828 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -23.08 13.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.222 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 108' ' ' GLN . 16.2 m-80 -89.92 -37.82 14.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.433 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.673 HD13 HD11 ' A' ' 98' ' ' LEU . 6.6 tp -63.56 -49.8 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.68 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.646 ' HB2' HD22 ' A' ' 121' ' ' LEU . 5.5 p -55.32 -33.36 63.25 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.101 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 105' ' ' ASN . 7.1 mm100 -68.9 -48.08 64.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.714 178.483 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.9 ' CE2' HD13 ' A' ' 113' ' ' ILE . 74.7 t80 -59.76 -50.49 73.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.704 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 6.6 mp -53.97 -30.32 46.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 107' ' ' CYS . 86.1 t -93.27 -27.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.163 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.22 -41.36 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.922 HD11 HD22 ' A' ' 115' ' ' LEU . 11.2 pt -88.84 -26.33 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.42 -179.874 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.01 30.9 6.48 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 -179.456 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 113' ' ' ILE . 3.5 tp -80.32 -70.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 110.633 -179.822 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -91.33 -167.59 1.84 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.513 179.404 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 155.72 45.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.627 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.425 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 2.7 p30 -62.44 -28.26 69.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.983 0.42 . . . . 0.0 110.362 179.806 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -79.48 -21.81 44.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.117 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.438 ' HB3' HG12 ' A' ' 44' ' ' ILE . 9.7 mt-30 -97.83 -1.81 42.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.082 179.654 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.646 HD22 ' HB2' ' A' ' 107' ' ' CYS . 21.1 mt -59.22 87.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.791 0.329 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -104.28 73.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.757 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.1 p -78.33 122.03 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.313 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.458 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 90.2 m-70 -126.36 63.7 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -54.66 120.16 15.57 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.241 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.412 ' CZ ' ' OE1' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.209 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.937 0.399 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.407 ' HB2' ' HG3' ' A' ' 122' ' ' LYS . 9.4 m-85 -71.72 175.57 5.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.187 -179.662 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.463 HG12 ' HB3' ' A' ' 120' ' ' GLN . 24.1 mm -110.4 103.53 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.727 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -74.51 131.76 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.825 -179.394 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.877 HG13 HG13 ' A' ' 123' ' ' VAL . 27.4 mm -92.19 -98.95 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.157 178.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.8 ttt180 85.14 126.59 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.286 0.565 . . . . 0.0 112.355 178.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.821 HG23 HG22 ' A' ' 56' ' ' THR . 3.1 mt -103.38 157.83 5.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.218 179.036 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.7 pt20 -140.76 94.83 2.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.999 0.428 . . . . 0.0 111.076 179.478 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.497 ' CG ' HG23 ' A' ' 56' ' ' THR . 1.0 OUTLIER -95.99 114.74 26.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.678 179.825 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -55.41 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.597 -179.401 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.72 22.68 9.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.709 0.29 . . . . 0.0 110.985 -179.754 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.1 14.35 60.69 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.299 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.46 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -139.82 -45.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.695 0.284 . . . . 0.0 111.046 -179.901 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -74.75 66.34 1.47 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.033 0.444 . . . . 0.0 110.423 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.821 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -74.18 143.0 45.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.209 -179.469 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 98' ' ' LEU . 2.4 mt -141.18 92.86 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.8 m -69.58 119.44 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.974 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -103.35 165.65 10.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.012 0.434 . . . . 0.0 111.162 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG2' HG12 ' A' ' 106' ' ' ILE . 41.6 t -134.23 117.54 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.265 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.863 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -111.41 141.05 45.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.277 179.474 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.7 -24.03 18.25 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.282 -179.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.829 HG23 ' CD2' ' A' ' 67' ' ' TYR . 5.1 mm -73.64 145.6 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 111.191 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -82.49 138.84 34.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -66.55 -12.35 57.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.42 24.34 3.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.461 -179.85 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.967 ' CB ' HD21 ' A' ' 72' ' ' LEU . 4.9 m-30 -85.14 23.35 1.27 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.489 179.72 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 26.8 t0 80.91 -17.75 0.55 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 tttt 64.37 -73.93 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.676 0.274 . . . . 0.0 111.349 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -51.67 -47.06 63.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.26 -179.825 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -58.21 -13.93 6.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.622 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.967 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -97.33 -58.46 2.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.581 0.229 . . . . 0.0 111.049 -179.814 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.559 HG22 ' HA3' ' A' ' 84' ' ' GLY . 3.4 t -79.36 -50.92 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -52.49 -43.28 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.026 0.441 . . . . 0.0 110.076 179.666 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.32 -48.7 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.374 179.117 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.659 ' CD2' HD22 ' A' ' 98' ' ' LEU . 14.6 t80 -46.55 -46.93 19.68 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.978 179.493 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 3.1 mtpm? -62.81 -24.46 67.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -85.03 -18.21 35.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.27 -179.726 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -104.56 -35.97 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.057 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 6.3 m-85 -118.93 -10.68 9.83 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.46 32.36 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.655 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 77' ' ' LYS . 18.6 m -107.82 157.71 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.593 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.06 122.5 29.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.629 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.559 ' HA3' HG22 ' A' ' 73' ' ' VAL . . . -113.32 128.03 8.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.232 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.8 p -129.54 115.43 17.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.402 . . . . 0.0 111.487 -179.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 86' ' ' VAL . 10.1 p -75.04 111.75 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.853 179.614 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.39 159.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.986 0.422 . . . . 0.0 111.389 -179.781 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -108.95 71.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.401 179.445 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -54.71 135.36 64.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.238 -179.523 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.56 -17.83 14.11 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.57 2.18 . . . . 0.0 112.248 179.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.472 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -82.18 -24.2 35.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -123.5 -52.17 1.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.664 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.17 105.2 2.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.631 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 58.42 90.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.863 HG12 ' HA ' ' A' ' 61' ' ' GLN . 27.4 m -144.19 137.89 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.662 ' O ' HG22 ' A' ' 59' ' ' THR . 1.2 mm -71.92 157.55 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.966 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.657 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -133.66 95.46 3.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.808 0.337 . . . . 0.0 111.313 -179.402 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.029 HD11 HD13 ' A' ' 106' ' ' ILE . 8.4 mt -85.53 156.3 20.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.313 179.252 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.46 142.18 27.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.126 -179.728 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.16 177.07 51.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.449 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -80.29 75.39 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.013 0.435 . . . . 0.0 110.757 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.419 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.2 OUTLIER -89.77 9.07 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.07 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.846 ' HG2' HG12 ' A' ' 123' ' ' VAL . 7.0 tmm_? -48.2 -28.84 3.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -21.37 15.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -87.59 -33.82 18.74 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.733 0.301 . . . . 0.0 111.245 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 1.029 HD13 HD11 ' A' ' 98' ' ' LEU . 7.7 tp -65.82 -50.3 71.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.349 -179.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.608 ' HB2' HD22 ' A' ' 121' ' ' LEU . 21.9 p -52.3 -34.81 48.54 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.465 0.65 . . . . 0.0 109.271 178.717 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -67.05 -50.68 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.809 178.697 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.772 ' CE2' HD13 ' A' ' 113' ' ' ILE . 57.2 t80 -58.02 -40.8 81.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.653 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.0 mp -59.48 -32.08 69.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.773 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.8 t -95.99 -23.41 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.253 0.549 . . . . 0.0 110.316 179.19 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.604 ' HB2' ' HA ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -68.6 -44.14 74.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.929 179.692 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.977 HD11 HD22 ' A' ' 115' ' ' LEU . 4.5 pt -96.73 -26.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.52 -179.41 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.54 29.33 5.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.853 -179.444 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.977 HD22 HD11 ' A' ' 113' ' ' ILE . 2.0 tp -75.96 -72.86 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 -179.839 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.653 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -95.04 148.85 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.628 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 147.57 31.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.52 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.29 -31.69 22.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.966 0.413 . . . . 0.0 110.689 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -78.47 -28.04 46.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.099 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.463 ' HB3' HG12 ' A' ' 44' ' ' ILE . 29.5 mt-30 -80.61 -11.55 59.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.069 179.627 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.608 HD22 ' HB2' ' A' ' 107' ' ' CYS . 65.6 mt -52.34 87.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.89 0.376 . . . . 0.0 111.257 -179.592 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 120' ' ' GLN . 11.0 mmtt -108.29 88.58 2.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.291 179.727 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.877 HG13 HG13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -98.71 127.32 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.458 -179.327 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 11.7 m-70 -134.85 68.74 1.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.256 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -57.04 120.05 18.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.156 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.271 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.6 t0 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.899 0.381 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.435 ' CD2' ' HE3' ' A' ' 122' ' ' LYS . 14.7 m-85 -66.78 175.28 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.571 HG21 HD11 ' A' ' 63' ' ' ILE . 19.3 mm -112.33 95.03 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.254 179.364 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 138.6 54.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.898 -179.15 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.992 HD13 HG22 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -142.48 106.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.525 179.324 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -127.55 150.12 49.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.164 0.506 . . . . 0.0 112.264 -178.636 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.686 ' CG2' HG22 ' A' ' 56' ' ' THR . 50.5 mt -102.88 157.37 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.476 179.331 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -140.72 93.73 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.409 179.296 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.537 ' HG3' HG23 ' A' ' 56' ' ' THR . 1.9 tt0 -92.34 111.54 23.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.234 -179.473 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -90.88 126.71 36.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.481 179.589 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 64.96 22.62 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.792 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.96 47.95 86.71 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.538 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 2.4 ptm180 -170.85 -44.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.283 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -72.16 65.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.001 0.429 . . . . 0.0 110.762 -179.902 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.686 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -74.76 131.35 40.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.745 -179.958 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.853 HD23 ' O ' ' A' ' 98' ' ' LEU . 4.6 mt -140.14 98.79 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.805 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.9 m -71.69 112.5 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -100.43 150.09 22.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.054 179.741 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.992 HG22 HD13 ' A' ' 46' ' ' ILE . 55.2 t -122.17 126.03 73.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.29 179.741 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.743 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -122.31 144.81 48.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.332 179.741 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.76 -26.16 18.65 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.161 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.872 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.8 mm -67.25 146.0 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.033 0.444 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.624 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.54 137.98 37.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.093 179.836 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.98 -13.72 60.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.239 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -94.92 29.25 2.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.261 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.964 ' CB ' HD21 ' A' ' 72' ' ' LEU . 3.9 m-30 -88.28 24.56 1.85 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.415 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 15.4 t0 81.64 -18.49 0.48 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.31 -74.82 0.05 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.795 0.331 . . . . 0.0 111.361 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 45.1 mttp -51.54 -42.38 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.472 -179.539 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.97 -1.29 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.018 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.964 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -107.12 -70.03 0.81 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.654 0.264 . . . . 0.0 111.1 -179.654 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.437 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 4.1 p -78.13 -45.79 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.064 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -62.01 -44.43 96.74 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.23 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.062 178.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.606 ' CE1' HD21 ' A' ' 98' ' ' LEU . 16.6 t80 -48.18 -48.7 34.47 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.57 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -71.54 -4.62 27.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.743 -179.927 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.56 -21.51 13.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.725 179.754 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 5.6 tmtm? -88.24 -49.58 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.214 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.544 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -108.82 -16.34 14.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.626 -179.746 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.55 33.8 0.63 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.154 0.502 . . . . 0.0 110.324 -179.266 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 16.4 m -97.03 -174.57 3.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 99' ' ' GLN . 11.5 m120 -105.87 122.93 47.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.332 179.89 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.38 157.83 19.62 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.852 -179.502 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.6 p -153.43 150.54 28.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.828 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.7 p -114.63 111.47 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.791 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.417 HG12 ' HB2' ' A' ' 97' ' ' GLN . 13.1 pt -123.84 163.72 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.436 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -112.92 76.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.927 178.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -52.53 133.28 44.9 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.48 -179.38 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.94 -14.6 17.0 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.546 2.164 . . . . 0.0 112.347 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.457 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -85.12 -24.09 28.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.457 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.3 m-85 -126.17 -54.57 1.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.933 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.74 -112.81 0.71 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.209 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.55 89.9 4.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.769 0.319 . . . . 0.0 110.686 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 61' ' ' GLN . 30.3 m -124.44 141.79 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.49 -179.672 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.658 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -74.26 159.98 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.631 179.257 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.639 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -133.29 82.11 1.97 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.883 0.373 . . . . 0.0 111.437 -179.486 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.853 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -65.68 167.11 9.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.057 179.109 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.453 ' CB ' ' HB2' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -109.75 130.95 55.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.748 179.701 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.412 ' HA2' ' HB ' ' A' ' 56' ' ' THR . . . 88.16 178.63 47.22 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.971 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.489 ' HA ' HD13 ' A' ' 48' ' ' ILE . 19.2 p30 -80.24 73.75 7.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.959 0.409 . . . . 0.0 110.385 179.566 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.442 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -89.3 7.31 36.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.275 -179.558 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -28.37 1.92 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.027 0.441 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -92.64 -27.6 17.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.737 179.504 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -82.6 -39.11 22.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.52 HG23 ' N ' ' A' ' 107' ' ' CYS . 8.9 tp -65.48 -49.74 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.822 ' SG ' HD22 ' A' ' 121' ' ' LEU . 34.0 t -56.72 -35.22 68.29 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.033 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -33.07 64.09 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.45 178.561 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.797 ' CE2' HD13 ' A' ' 113' ' ' ILE . 67.6 t80 -72.2 -45.15 61.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.333 179.423 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.426 HD23 ' HB3' ' A' ' 116' ' ' ALA . 4.8 mp -58.84 -29.48 66.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.753 179.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 107' ' ' CYS . 52.3 t -92.44 -28.95 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.051 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.75 -43.82 68.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.825 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.916 HD11 HD22 ' A' ' 115' ' ' LEU . 6.0 pt -89.82 -21.87 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.335 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 90.01 34.31 8.35 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.548 -179.081 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.916 HD22 HD11 ' A' ' 113' ' ' ILE . 4.7 tp -76.97 -73.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.727 0.299 . . . . 0.0 111.141 -179.582 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.426 ' HB3' HD23 ' A' ' 110' ' ' LEU . . . -93.53 159.78 15.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.544 179.735 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -82.89 145.74 29.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.392 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.418 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 1.8 m-20 -53.17 -32.45 47.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.576 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -79.45 -28.47 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.047 179.139 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.422 ' HB3' HG12 ' A' ' 44' ' ' ILE . 33.2 mt-30 -80.11 -8.63 59.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.236 179.496 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.822 HD22 ' SG ' ' A' ' 107' ' ' CYS . 84.5 mt -56.29 88.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.997 0.427 . . . . 0.0 111.077 -179.641 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.435 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 2.2 mmtt -104.48 78.98 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.769 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.84 112.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -114.33 70.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.261 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.68 120.51 14.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.234 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.47 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.971 0.415 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.481 ' HB3' ' HG2' ' A' ' 122' ' ' LYS . 20.4 m-30 -62.6 166.66 5.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.752 HG21 ' CD2' ' A' ' 110' ' ' LEU . 0.3 OUTLIER -107.01 79.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 109.448 179.164 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.497 ' NE2' ' NE2' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -62.31 113.17 2.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.969 -178.748 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.734 HD12 ' CG2' ' A' ' 106' ' ' ILE . 16.8 mm -74.7 -93.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.485 178.789 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 79.71 121.65 0.05 OUTLIER 'General case' 0 C--N 1.342 0.27 0 CA-C-O 121.101 0.476 . . . . 0.0 112.0 178.776 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.67 HG23 HG22 ' A' ' 56' ' ' THR . 14.1 mt -97.25 156.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.406 179.271 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.441 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.6 pt20 -141.05 98.53 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 179.196 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.479 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 2.9 tt0 -95.7 125.18 40.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.495 -179.313 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.52 130.04 54.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.365 179.465 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.1 t30 66.0 20.92 11.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.904 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.56 45.75 93.97 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.858 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.0 -37.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.68 0.276 . . . . 0.0 111.533 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -74.83 66.45 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 110.745 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.67 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -76.14 135.84 39.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.99 -179.864 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.809 HD23 ' O ' ' A' ' 98' ' ' LEU . 3.9 mt -141.09 100.77 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.41 HG23 ' CG2' ' A' ' 46' ' ' ILE . 84.3 m -75.42 115.53 15.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -99.42 160.99 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.309 -179.804 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.436 HG13 HG23 ' A' ' 44' ' ' ILE . 45.0 t -127.31 109.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.607 179.398 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.63 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -86.05 55.0 3.34 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 63' ' ' ILE . . . -166.39 -144.97 4.28 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.607 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.028 HG21 HD11 ' A' ' 72' ' ' LEU . 0.8 OUTLIER 58.79 146.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.118 0.485 . . . . 0.0 110.867 179.604 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.64 155.89 18.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.301 -179.546 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.76 -18.96 61.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.237 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.47 35.46 1.34 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.988 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.966 ' CD2' HG23 ' A' ' 63' ' ' ILE . 3.7 m-30 -98.07 29.47 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.827 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' LYS . 2.5 t0 78.8 -10.5 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.003 179.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 60.15 -79.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.698 0.285 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' ASP . 6.0 mtpt -53.54 -64.74 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.552 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 1.5 ttpt -48.28 -24.63 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.67 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 1.028 HD11 HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -68.22 -79.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.084 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.448 HG22 ' HA3' ' A' ' 84' ' ' GLY . 3.6 p -83.86 -43.68 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.698 0.285 . . . . 0.0 111.715 -179.36 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 3.1 tmtm? -50.73 -42.18 57.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -66.3 -34.58 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.309 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 8.5 t80 -53.47 -52.22 60.19 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.064 0.459 . . . . 0.0 110.601 179.757 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -63.02 -14.72 51.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.481 179.817 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -20.28 16.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.714 0.292 . . . . 0.0 111.074 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.453 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 17.7 tttp -97.2 -36.92 10.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.542 -179.53 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.556 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 17.4 m-85 -112.9 -18.83 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -179.523 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.61 28.56 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 -179.243 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 77' ' ' LYS . 23.0 m -100.45 -178.79 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.765 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.413 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -106.45 103.88 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 110.548 179.793 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.448 ' HA3' HG22 ' A' ' 73' ' ' VAL . . . -106.84 136.85 13.6 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.558 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.8 p -141.89 123.44 15.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.892 0.377 . . . . 0.0 111.463 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 86' ' ' VAL . 10.2 p -83.93 111.74 20.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.708 179.481 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.56 153.45 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 111.56 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -98.08 69.91 2.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.322 179.4 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.458 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -49.37 133.71 17.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.388 -179.608 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.35 -18.03 16.24 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.474 2.116 . . . . 0.0 112.368 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.458 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -85.59 -26.39 26.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.981 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.692 ' HD2' HG21 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -115.16 -53.63 2.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.945 -179.895 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.76 97.72 2.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.675 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 61.71 84.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.692 HG21 ' HD2' ' A' ' 92' ' ' TYR . 27.9 m -139.64 142.48 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.814 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -80.56 127.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.631 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.603 HE21 HD22 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -104.83 110.54 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.973 0.416 . . . . 0.0 111.867 -178.91 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.809 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.3 mp -95.15 165.86 12.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.629 178.7 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.413 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 6.4 mm-40 -105.92 139.2 40.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.83 -179.49 51.15 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.156 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.457 ' HA ' HD13 ' A' ' 48' ' ' ILE . 9.1 p-10 -78.97 84.67 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.413 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -103.37 9.88 37.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.343 -179.578 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.485 ' HA ' HG21 ' A' ' 46' ' ' ILE . 3.8 ptm180 -49.43 -28.76 5.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 0.0 111.061 -179.884 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -96.42 -22.0 17.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -86.2 -36.98 19.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.244 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.734 ' CG2' HD12 ' A' ' 46' ' ' ILE . 9.0 tp -66.56 -47.38 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.945 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.679 ' O ' HG23 ' A' ' 111' ' ' VAL . 26.7 p -55.21 -32.52 62.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.307 0.575 . . . . 0.0 109.539 178.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -69.54 -47.0 65.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.985 178.9 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.795 ' CE2' HD13 ' A' ' 113' ' ' ILE . 64.8 t80 -58.39 -56.83 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.085 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.752 ' CD2' HG21 ' A' ' 44' ' ' ILE . 6.9 mp -53.85 -27.7 31.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.68 ' CG2' HD11 ' A' ' 121' ' ' LEU . 65.7 t -92.85 -25.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.037 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 108' ' ' GLN . 3.8 mm-40 -79.09 -47.59 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.894 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 1.046 HD11 HD22 ' A' ' 115' ' ' LEU . 12.9 pt -84.27 -0.16 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.44 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.96 30.58 67.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.686 -179.168 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.046 HD22 HD11 ' A' ' 113' ' ' ILE . 5.9 tp -74.1 -70.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 0.0 111.213 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.589 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -93.84 -170.1 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 -179.82 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 154.6 43.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.754 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.787 ' HA ' HD12 ' A' ' 121' ' ' LEU . 5.5 p30 -56.64 -25.59 53.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 4.6 m-20 -77.0 -23.17 52.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.651 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.452 ' HB3' HD13 ' A' ' 44' ' ' ILE . 9.0 mt-30 -106.62 12.49 29.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.141 179.73 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.787 HD12 ' HA ' ' A' ' 118' ' ' ASP . 17.1 mt -81.31 57.66 3.3 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.228 0.537 . . . . 0.0 110.738 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -50.75 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.481 -179.293 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.571 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 45.64 105.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 CA-C-O 121.345 0.593 . . . . 0.0 112.402 179.454 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.497 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 9.9 m-70 -118.91 -66.35 1.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 118.32 -131.08 9.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.013 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 1.6 p90 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.876 0.37 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 58.29 30.33 19.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.95 -125.83 3.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -74.69 128.58 35.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -136.08 69.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -144.66 30.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -125.4 168.39 13.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.828 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -86.3 -36.53 19.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.73 80.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.2 -79.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p 50.06 88.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.99 80.92 59.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.12 -23.61 22.93 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.596 2.198 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.44 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 19.1 ttt -59.6 -26.44 65.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.032 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.5 m -64.65 -16.3 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.261 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.98 44.42 1.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.837 0.351 . . . . 0.0 111.457 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 14' ' ' MET . 33.7 mt -122.45 86.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.972 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.587 ' HG2' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -117.11 30.4 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 60.16 62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.587 HD23 ' HG2' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -80.77 154.07 27.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.781 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' CD2' ' HB3' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 42.95 90.22 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.296 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.5 t -134.76 31.85 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -173.54 116.05 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.522 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 1.9 m-20 -178.35 100.88 0.21 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.34 -26.7 16.37 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.442 2.095 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 5.7 m-85 -108.16 29.37 7.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . . . -176.49 106.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 t0 59.8 59.8 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -175.91 160.88 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.44 121.35 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -146.41 132.57 19.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.28 125.86 8.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -30.56 69.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.46 -41.79 6.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.27 103.75 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 36' ' ' LEU . 3.7 mm? -102.32 159.17 30.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.74 -59.02 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.564 2.176 . . . . 0.0 112.378 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -174.9 150.81 1.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.43 80.51 0.88 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 2.9 p -112.0 -17.95 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 0.0 111.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 58.67 18.8 6.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.807 0.337 . . . . 0.0 111.302 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.45 62.82 2.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.949 0.404 . . . . 0.0 111.194 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.469 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 18.4 m-30 -69.84 172.82 7.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.744 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.414 HG12 ' HB3' ' A' ' 120' ' ' GLN . 21.0 mm -112.95 96.67 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 110.551 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.531 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -67.91 126.03 28.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.877 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.686 HD12 ' CG2' ' A' ' 106' ' ' ILE . 26.0 mm -84.83 -96.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.462 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.481 ' N ' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.56 125.57 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.284 0.564 . . . . 0.0 112.055 178.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.86 HG23 HG22 ' A' ' 56' ' ' THR . 4.8 mt -108.81 157.46 9.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.32 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.8 pt20 -141.9 92.41 2.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 111.024 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.6 tt0 -95.29 97.97 10.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -59.49 4.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.73 -151.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.016 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.53 35.76 3.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.538 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER 174.86 -26.67 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.61 67.13 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.976 0.417 . . . . 0.0 110.607 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.86 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -87.46 150.55 23.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.322 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.903 HD13 ' NE2' ' A' ' 97' ' ' GLN . 2.6 mt -144.75 80.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.408 ' HG1' ' H ' ' A' ' 102' ' ' GLN . 44.3 m -62.59 121.74 14.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.096 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -108.12 162.55 13.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.946 0.403 . . . . 0.0 111.273 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.615 HG12 HG12 ' A' ' 63' ' ' ILE . 38.6 t -128.45 116.69 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.145 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.54 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -114.85 142.91 45.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.401 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.43 -30.07 7.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.882 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' A' ' 67' ' ' TYR . 8.2 mm -57.37 145.81 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.903 0.382 . . . . 0.0 111.079 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.611 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.69 134.34 36.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.34 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -63.31 -17.7 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -68.45 -25.29 64.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.773 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.4 m-30 -49.44 158.39 0.42 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.034 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -74.51 82.93 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.448 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -36.85 -41.72 0.34 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.739 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 4.8 mptt -66.3 -67.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.723 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -58.52 -20.37 45.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.245 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.718 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.7 tt -65.58 -68.98 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.324 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.55 HG21 ' C ' ' A' ' 84' ' ' GLY . 7.9 p -83.05 -44.99 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.792 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.472 ' N ' HG13 ' A' ' 73' ' ' VAL . 2.4 tttm -47.85 -42.15 25.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.75 70.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.694 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.823 ' CE2' HD22 ' A' ' 98' ' ' LEU . 7.9 t80 -60.64 -44.24 96.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.496 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -8.97 57.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.199 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.78 -20.22 15.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.683 0.278 . . . . 0.0 111.167 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -96.32 -49.11 5.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.547 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.46 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -107.73 -16.19 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.585 -179.411 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 69.39 40.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.0 110.998 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.83 167.07 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.804 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -87.19 109.24 19.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.55 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -118.11 139.54 14.77 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.668 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -137.17 167.46 21.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.784 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 86' ' ' VAL . 13.1 p -117.2 113.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.5 pt -119.35 145.66 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.309 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -102.37 75.18 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.468 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -56.35 137.45 75.46 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.135 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.57 -22.35 7.99 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.636 2.224 . . . . 0.0 112.289 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -82.35 -25.39 33.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.422 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -117.33 -50.9 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.819 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.94 103.36 2.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.726 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 58.03 91.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.213 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 61' ' ' GLN . 25.9 m -142.54 128.39 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.703 ' O ' HG22 ' A' ' 59' ' ' THR . 1.1 mm -68.83 153.81 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.23 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.903 ' NE2' HD13 ' A' ' 57' ' ' LEU . 1.1 tt0 -127.85 105.32 8.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 111.426 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.052 HD11 HD13 ' A' ' 106' ' ' ILE . 9.6 mt -93.74 157.3 16.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.031 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -94.49 138.17 32.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.858 0.361 . . . . 0.0 111.037 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.45 166.98 24.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.57 93.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.847 0.356 . . . . 0.0 110.758 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -105.58 9.24 33.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.967 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.405 ' HG2' HD11 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -48.08 -27.38 2.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.343 . . . . 0.0 111.287 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -97.0 -21.57 17.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.393 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -93.53 -37.24 12.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.249 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 1.052 HD13 HD11 ' A' ' 98' ' ' LEU . 6.2 tp -64.56 -50.89 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.127 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.606 ' HB3' HD22 ' A' ' 121' ' ' LEU . 15.9 m -57.15 -36.26 70.51 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.06 -33.0 69.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.397 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.825 ' CE2' HD13 ' A' ' 113' ' ' ILE . 76.5 t80 -72.48 -45.71 58.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.537 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.2 mp -56.68 -30.28 63.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.72 -30.73 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.52 -37.69 80.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.825 HD13 ' CE2' ' A' ' 109' ' ' PHE . 7.6 pt -95.09 -26.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.278 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.97 29.48 8.03 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.86 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.718 HD21 ' HG ' ' A' ' 72' ' ' LEU . 5.9 tp -75.19 -70.24 0.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.885 0.374 . . . . 0.0 110.722 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.86 -164.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.462 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.52 144.49 50.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.335 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 8.4 m-20 -52.42 -30.47 29.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.822 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.0 -25.78 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.352 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 33.0 mt-30 -85.99 -11.49 52.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.283 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 107' ' ' CYS . 54.6 mt -49.33 92.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.401 . . . . 0.0 111.002 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -113.82 84.43 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.732 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.0 p -91.78 122.66 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.531 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 37.5 m-70 -128.65 78.61 1.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.394 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.14 120.97 24.12 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.944 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.353 -179.597 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.791 0.329 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -34.69 64.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.75 77.86 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.49 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.04 168.09 20.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.1 t60 61.39 154.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -88.85 -68.12 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.61 -59.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -166.11 131.25 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -169.25 164.65 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -75.95 -35.31 59.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.39 -69.68 0.14 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -172.15 146.0 1.64 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.18 -43.51 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.581 2.188 . . . . 0.0 112.38 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.615 ' HA ' HD11 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -72.53 -20.94 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.192 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.8 m -86.17 -28.61 23.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.097 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.98 50.98 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.224 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.615 HD11 ' HA ' ' A' ' 14' ' ' MET . 39.6 mt -90.59 141.98 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.05 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.57 101.48 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.816 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -111.4 80.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 59.45 174.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 58.59 84.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.1 m -73.67 -70.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.3 t80 57.57 103.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.461 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -57.38 109.55 1.83 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.12 -24.96 27.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.437 2.091 . . . . 0.0 112.185 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -113.07 45.47 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 24' ' ' ASP . . . -163.88 93.85 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -133.53 -47.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.6 126.58 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m 59.55 93.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -81.32 75.92 8.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.29 85.29 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.541 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.6 t0 58.26 29.66 18.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.67 84.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -88.45 134.69 33.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 mp 62.59 148.81 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.08 -36.27 4.45 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.593 2.196 . . . . 0.0 112.316 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.2 136.79 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.48 27.18 0.42 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.587 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -153.08 24.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.731 0.301 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 5.6 mt-10 52.4 22.83 2.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.561 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t70 44.07 67.33 0.69 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.836 0.35 . . . . 0.0 111.427 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.4 m-30 -70.99 173.6 7.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.938 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 61' ' ' GLN . 22.3 mm -111.92 99.18 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.183 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.37 118.87 12.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.194 -178.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.564 HD12 ' CG2' ' A' ' 106' ' ' ILE . 37.9 mm -79.81 -96.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.315 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 82.88 127.17 0.04 OUTLIER 'General case' 0 C--N 1.342 0.276 0 CA-C-O 121.227 0.537 . . . . 0.0 112.128 178.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.552 ' CG2' HG22 ' A' ' 56' ' ' THR . 44.0 mt -102.62 157.11 4.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.378 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -132.59 79.87 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.083 0.468 . . . . 0.0 110.472 179.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.654 ' CG ' HG23 ' A' ' 56' ' ' THR . 2.4 tt0 -89.65 98.43 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.307 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.4 126.39 30.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.423 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t30 62.95 22.62 13.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.819 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.93 34.59 90.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.685 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' THR . 77.3 mtt180 -150.65 -58.13 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.699 0.285 . . . . 0.0 111.246 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 73.85 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.441 . . . . 0.0 110.714 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.654 HG23 ' CG ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -79.65 129.02 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.189 -179.715 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.823 HD23 ' CD ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -140.54 88.11 2.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.602 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 55.4 m -63.14 125.28 23.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.35 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.769 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -108.08 158.18 17.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.944 0.402 . . . . 0.0 111.157 179.499 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.502 ' CG2' HG12 ' A' ' 106' ' ' ILE . 17.5 t -125.32 123.02 64.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.115 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.563 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -118.67 149.14 41.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.778 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.32 -29.82 11.27 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.107 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.817 HG23 ' CD2' ' A' ' 67' ' ' TYR . 5.6 mm -59.93 144.45 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.0 0.429 . . . . 0.0 111.187 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -84.54 133.57 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.225 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.7 -17.39 62.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.02 -10.93 59.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.207 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.817 ' CD2' HG23 ' A' ' 63' ' ' ILE . 6.3 m-30 -53.31 -177.09 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.834 0.349 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -54.71 -30.24 55.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.15 -76.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 1.3 mptp? -56.77 -69.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.574 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -21.55 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.703 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.5 tt -54.86 -67.14 0.29 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.469 ' HB ' HD12 ' A' ' 96' ' ' ILE . 5.4 p -89.45 -30.65 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.481 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -59.4 -41.65 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.563 179.685 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.15 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.783 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.654 ' CD2' HD22 ' A' ' 98' ' ' LEU . 7.5 t80 -57.73 -44.77 86.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.549 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 15.4 mttt -69.2 -12.34 61.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.238 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -98.85 -19.26 17.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.695 0.283 . . . . 0.0 111.22 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 47.0 tttp -101.11 -37.49 8.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.739 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 6.2 m-85 -114.45 -14.21 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.716 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 66.5 32.38 7.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.013 0.435 . . . . 0.0 110.823 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 72.7 m -101.51 -177.06 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.728 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -112.05 114.96 28.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -115.02 135.81 12.64 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.695 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.7 p -131.66 131.37 43.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.804 0.335 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.1 p -86.08 64.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.971 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 pt -67.65 152.36 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.281 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -101.84 73.15 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.368 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.485 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.8 t-80 -54.31 134.3 61.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.295 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -77.33 -16.62 15.26 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.517 2.145 . . . . 0.0 112.196 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -82.64 -23.31 34.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.972 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.482 ' HD2' HG21 ' A' ' 95' ' ' VAL . 1.6 m-85 -123.93 -52.15 1.78 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.035 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.73 101.99 2.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 62.54 81.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.482 HG21 ' HD2' ' A' ' 92' ' ' TYR . 9.7 m -133.17 141.88 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.3 mm -81.23 135.32 25.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.823 ' CD ' HD23 ' A' ' 57' ' ' LEU . 5.9 tt0 -125.09 117.08 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.13 0.491 . . . . 0.0 111.696 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.093 HD11 HD13 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -98.51 158.05 15.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.359 179.199 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.68 140.03 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.212 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.18 178.3 52.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.58 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -81.21 83.26 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.508 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.533 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -94.92 10.96 33.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.197 -179.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.4 ptt85 -49.01 -25.78 2.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.833 0.349 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -102.42 -21.51 14.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.296 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -89.44 -41.61 11.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.711 0.291 . . . . 0.0 111.26 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 1.093 HD13 HD11 ' A' ' 98' ' ' LEU . 7.2 tp -60.6 -50.01 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.292 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.87 ' HB2' HD22 ' A' ' 121' ' ' LEU . 20.8 p -57.93 -35.12 70.65 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -33.34 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.502 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.824 ' CE2' HD13 ' A' ' 113' ' ' ILE . 75.0 t80 -72.97 -43.85 61.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.589 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.716 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 3.1 mp -58.51 -29.58 66.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 107' ' ' CYS . 48.7 t -92.95 -26.84 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.2 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.76 -33.08 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.033 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.895 HD11 HD22 ' A' ' 115' ' ' LEU . 9.8 pt -97.67 -24.48 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.436 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.91 27.77 9.27 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.838 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.895 HD22 HD11 ' A' ' 113' ' ' ILE . 4.6 tp -78.3 -71.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.765 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.716 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -94.35 163.3 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.553 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -89.83 150.8 22.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.548 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -58.09 -27.51 63.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.962 0.411 . . . . 0.0 110.409 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -83.18 -24.51 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.343 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.477 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 31.7 mt-30 -81.94 -14.13 56.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.247 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.87 HD22 ' HB2' ' A' ' 107' ' ' CYS . 60.2 mt -49.67 91.07 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 111.078 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 120' ' ' GLN . 5.7 mmtt -110.08 84.25 1.89 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.78 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.4 p -92.53 116.81 34.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.373 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 27.6 m-70 -122.96 83.46 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.225 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -56.18 119.54 15.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.22 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.265 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.1 mtp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.771 0.319 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -123.78 115.04 20.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.62 -172.53 0.82 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -158.71 118.55 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -139.51 109.29 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.84 90.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.61 122.79 43.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -93.02 80.66 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -147.36 32.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -163.43 -55.75 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.8 m 62.88 -81.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 174.53 131.77 0.13 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.701 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.72 -28.08 45.57 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.371 2.048 . . . . 0.0 112.23 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.462 ' HA ' HD11 ' A' ' 17' ' ' ILE . 46.7 mtm -61.63 -27.3 68.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.2 m -72.26 -37.93 68.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.5 76.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 18' ' ' GLN . 18.8 mt -103.29 160.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.486 ' N ' HG22 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -56.06 121.71 10.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -109.42 43.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.8 mt -70.6 149.74 46.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -112.92 -173.66 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.1 t 66.55 112.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -156.95 64.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.566 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 8.9 m-20 -110.93 142.93 27.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -31.22 74.89 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.503 2.135 . . . . 0.0 112.313 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -110.09 40.95 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 24' ' ' ASP . . . -172.38 91.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -150.54 -65.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.19 177.11 4.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -159.15 -75.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 38.28 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.6 91.28 1.58 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.452 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -118.86 31.73 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.326 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -78.03 -33.47 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.84 75.73 1.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.771 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.9 mt -57.71 151.21 43.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.19 108.0 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.497 2.131 . . . . 0.0 112.393 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -121.91 65.08 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.43 -63.36 4.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.422 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 19.0 p -127.11 9.18 6.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.615 0.245 . . . . 0.0 111.273 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 5.6 mt-10 52.61 23.8 2.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.735 0.302 . . . . 0.0 111.445 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 t0 45.58 71.33 0.29 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.345 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.485 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 18.7 m-30 -78.68 170.8 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.477 HG12 ' HB3' ' A' ' 120' ' ' GLN . 32.5 mm -106.75 99.26 8.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.994 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -72.61 115.67 12.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.173 -178.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.706 HD12 HG21 ' A' ' 106' ' ' ILE . 34.3 mm -74.17 -94.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.573 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 7.0 tpt180 85.47 130.21 0.04 OUTLIER 'General case' 0 C--N 1.344 0.364 0 CA-C-O 121.159 0.504 . . . . 0.0 112.003 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.792 HG23 HG22 ' A' ' 56' ' ' THR . 3.8 mt -114.03 156.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.389 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 7.6 pt20 -139.96 101.73 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.991 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.6 OUTLIER -102.62 111.38 23.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.666 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -80.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.314 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.48 43.67 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.691 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.95 19.82 59.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.878 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -145.04 -44.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -71.27 65.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.44 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.792 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -75.26 144.22 42.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.953 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 98' ' ' LEU . 1.9 mt -145.47 90.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 m -65.69 122.55 17.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -105.14 161.32 14.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.36 . . . . 0.0 110.978 179.61 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.613 HG12 HG12 ' A' ' 63' ' ' ILE . 18.8 t -128.01 119.69 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.465 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.554 ' CG ' HG11 ' A' ' 95' ' ' VAL . 19.9 mt-30 -114.01 143.42 44.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.606 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.93 -34.66 5.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.605 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.803 HG23 ' CD2' ' A' ' 67' ' ' TYR . 8.5 mm -52.74 142.44 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.016 0.436 . . . . 0.0 111.405 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.572 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -81.23 138.37 35.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.375 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.62 -16.83 64.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.895 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.91 -24.61 62.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.803 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.6 m-30 -48.33 159.18 0.22 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.221 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.13 80.33 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.172 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -37.48 -43.04 0.56 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.731 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 12.6 mttt -62.15 -68.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.719 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -62.2 -15.7 48.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.594 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.724 ' HG ' HD21 ' A' ' 115' ' ' LEU . 1.8 tt -67.88 -70.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.58 0.228 . . . . 0.0 111.501 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG21 ' C ' ' A' ' 84' ' ' GLY . 8.8 p -84.43 -45.85 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.493 ' N ' HG13 ' A' ' 73' ' ' VAL . 8.6 mmtm -48.57 -41.74 31.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.64 -31.65 72.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.556 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CD2' HD22 ' A' ' 98' ' ' LEU . 9.6 t80 -60.2 -43.93 95.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.557 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -9.15 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.245 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 -20.96 13.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.668 0.271 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -95.12 -39.19 10.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.51 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.532 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 4.9 m-85 -113.89 -18.47 11.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.649 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.32 33.32 0.9 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.923 0.392 . . . . 0.0 110.93 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 66.3 m -105.5 -179.32 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.59 117.98 35.47 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.53 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -121.83 134.33 9.86 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.654 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 p -123.73 168.11 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.001 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.1 p -120.22 71.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.593 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.9 pt -79.05 149.6 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.535 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -104.01 75.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.173 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -51.24 129.14 31.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.332 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.5 -13.44 22.63 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.433 2.089 . . . . 0.0 112.29 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.6 OUTLIER -86.1 -24.45 26.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -126.0 -54.96 1.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.89 -113.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -100.09 90.81 4.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.732 0.301 . . . . 0.0 110.757 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.554 HG11 ' CG ' ' A' ' 61' ' ' GLN . 20.3 m -118.72 136.59 55.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.284 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -74.2 151.18 7.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.859 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.593 ' OE1' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -124.66 101.8 7.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.762 0.315 . . . . 0.0 111.52 -179.048 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.863 ' O ' HD23 ' A' ' 57' ' ' LEU . 8.8 mt -91.53 155.97 18.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.329 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.01 142.54 27.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.885 0.374 . . . . 0.0 111.103 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.75 179.13 51.18 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.572 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.423 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 23.7 p-10 -83.47 78.43 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.034 0.445 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -91.34 13.92 16.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.141 -179.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -47.32 -28.92 2.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.927 0.394 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -101.52 -21.86 14.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.031 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -84.12 -37.25 22.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.061 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.837 HD13 HD11 ' A' ' 98' ' ' LEU . 4.8 tp -66.53 -52.23 48.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.053 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.63 ' HB3' HD22 ' A' ' 121' ' ' LEU . 59.5 m -55.74 -33.56 64.37 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.29 -35.24 66.1 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.418 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.782 ' CE2' HD13 ' A' ' 113' ' ' ILE . 74.2 t80 -72.05 -45.64 60.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.474 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 2.8 mp -57.24 -30.33 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.707 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 107' ' ' CYS . 49.0 t -91.73 -31.33 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.201 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.96 -29.78 66.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.782 HD13 ' CE2' ' A' ' 109' ' ' PHE . 7.7 pt -103.96 -25.24 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.445 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.64 31.95 7.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.766 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 113' ' ' ILE . 6.0 tp -76.88 -70.47 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.983 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -89.24 -169.18 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.704 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 144.9 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.421 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -54.91 -31.61 60.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.924 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.7 p30 -80.71 -19.85 44.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.485 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 33.5 mt-30 -89.32 -10.98 44.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 107' ' ' CYS . 40.9 mt -49.03 92.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.162 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -114.78 84.52 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 123' ' ' VAL . 13.1 p -94.88 124.3 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.341 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 16.6 m-70 -130.2 85.41 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.393 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.62 121.93 21.22 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.176 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.422 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.8 0.333 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -161.97 70.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.746 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.38 105.0 1.47 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.429 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.5 p -119.94 -52.01 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.042 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.03 -32.56 24.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -147.72 146.31 29.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -81.16 -68.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -150.27 138.22 20.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -107.73 109.89 21.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 t60 62.77 146.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.29 39.86 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -174.61 64.73 0.26 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.12 -29.19 27.32 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.545 2.163 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.576 ' HA ' HD11 ' A' ' 17' ' ' ILE . 5.2 mmt -63.36 -29.39 70.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m -69.57 -31.25 69.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.48 80.29 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 14' ' ' MET . 19.9 mt -109.67 80.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -116.68 -170.48 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -125.13 80.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.0 tp -73.74 114.93 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -118.96 160.37 22.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 m 61.7 115.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.98 138.38 31.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . 1.9 t0 61.41 67.5 1.36 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.89 -27.36 84.75 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.718 2.279 . . . . 0.0 112.252 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -113.9 46.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . . . -80.95 72.12 7.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.4 p30 -177.01 94.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.4 178.28 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.99 -169.21 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -60.28 163.06 5.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.93 74.22 1.4 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -153.98 80.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.02 -45.12 86.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.39 107.97 2.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 mp -92.51 164.58 22.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.04 80.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 56.42 67.6 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.306 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.79 -62.05 1.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.288 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.427 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -102.13 -24.61 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.713 0.292 . . . . 0.0 110.852 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -49.37 -27.1 3.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.216 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -62.88 80.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.708 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 41' ' ' GLU . 9.3 m-85 -91.63 176.56 6.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.431 HG12 ' HB3' ' A' ' 120' ' ' GLN . 24.8 mm -111.74 97.84 6.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.493 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.451 ' CE1' ' NE2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.53 130.08 41.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.929 -179.24 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.727 HD12 ' CG2' ' A' ' 106' ' ' ILE . 18.2 mm -88.91 -97.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.218 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.59 124.63 0.03 OUTLIER 'General case' 0 C--N 1.345 0.387 0 CA-C-O 121.149 0.5 . . . . 0.0 111.933 178.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.726 HG23 HG22 ' A' ' 56' ' ' THR . 0.4 OUTLIER -103.35 154.66 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.406 179.295 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 7.0 pt20 -139.85 104.04 4.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 111.053 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -105.63 119.74 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.593 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -67.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.393 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -92.63 38.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.224 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.46 22.53 38.77 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.372 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -156.35 -45.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.53 66.39 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 0.0 110.357 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.726 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -71.87 158.03 36.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.086 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 98' ' ' LEU . 2.2 mt -149.56 80.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.448 ' HG1' ' H ' ' A' ' 102' ' ' GLN . 76.0 m -58.88 120.65 9.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.407 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -105.15 161.97 13.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.917 0.389 . . . . 0.0 110.81 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.629 HG12 HG12 ' A' ' 63' ' ' ILE . 29.1 t -130.88 110.5 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.057 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.834 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -103.33 140.45 37.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.478 179.682 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.2 -26.47 10.37 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.063 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.796 HG23 ' CE2' ' A' ' 67' ' ' TYR . 12.7 mm -65.47 146.42 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.943 0.401 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.525 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -86.07 132.9 33.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.382 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.28 -19.24 61.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.741 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -23.54 66.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.746 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.796 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.8 m-30 -49.91 158.0 0.55 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -73.2 78.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.45 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -41.18 -38.05 1.02 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.311 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -61.74 -55.96 24.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.544 179.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -84.29 4.83 29.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.532 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.61 ' HG ' HD21 ' A' ' 115' ' ' LEU . 1.8 tt -85.38 -58.67 2.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.765 0.316 . . . . 0.0 110.788 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.909 HG13 HD12 ' A' ' 96' ' ' ILE . 2.0 m -89.62 -40.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.332 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 5.4 ttpt -52.77 -40.84 63.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.009 0.433 . . . . 0.0 110.33 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.45 -31.55 72.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.515 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 80' ' ' PHE . 7.7 t80 -65.27 -57.08 9.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -54.93 -22.24 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.488 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.37 -19.99 21.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 111.408 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -101.06 -30.42 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.827 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.524 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 28.2 m-85 -117.64 -15.27 10.18 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.47 24.36 2.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.3 m -102.35 -162.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.294 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -121.56 115.74 23.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.92 0.39 . . . . 0.0 110.153 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.414 ' HA2' HD12 ' A' ' 98' ' ' LEU . . . -106.34 120.31 6.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.365 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.45 ' O ' HD13 ' A' ' 96' ' ' ILE . 24.4 p -121.95 153.68 38.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.844 0.354 . . . . 0.0 111.285 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.6 ' HA ' HD13 ' A' ' 96' ' ' ILE . 11.0 p -107.39 124.07 63.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.604 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.462 HD13 ' NE2' ' A' ' 97' ' ' GLN . 17.2 pt -135.93 157.02 38.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.05 0.452 . . . . 0.0 111.595 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -111.23 74.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.198 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -56.45 142.79 68.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.359 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 86.3 Cg_endo -82.52 -26.08 2.8 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.735 2.29 . . . . 0.0 112.248 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 2.8 mm-40 -80.56 -24.2 39.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.425 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -117.55 -49.77 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.059 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.75 99.62 1.82 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.565 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.03 93.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.713 0.292 . . . . 0.0 111.076 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.834 HG12 ' HA ' ' A' ' 61' ' ' GLN . 35.9 m -143.66 145.31 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.909 HD12 HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -87.6 125.47 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.147 179.679 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.578 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -98.11 111.46 23.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.695 -179.122 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.832 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.5 mp -93.78 167.42 11.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.561 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 138.71 41.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 0.0 110.945 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.62 173.78 18.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.256 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.559 ' HA ' HD11 ' A' ' 48' ' ' ILE . 5.0 p-10 -69.42 98.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.009 0.433 . . . . 0.0 110.67 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.448 ' H ' ' HG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -116.05 2.49 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.407 -179.555 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.533 ' HA ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -46.16 -27.86 1.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.732 0.301 . . . . 0.0 111.561 -179.512 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -95.39 -23.79 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.347 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.421 ' HB3' ' CE2' ' A' ' 80' ' ' PHE . 60.5 m-80 -91.99 -32.37 15.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.681 0.276 . . . . 0.0 111.304 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.742 HD13 ' CD2' ' A' ' 98' ' ' LEU . 8.8 tp -65.22 -47.99 85.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.186 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.794 ' HB2' HD22 ' A' ' 121' ' ' LEU . 6.3 p -53.48 -35.03 60.12 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.422 0.63 . . . . 0.0 109.453 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -44.9 76.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.064 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.899 ' CE2' HD13 ' A' ' 113' ' ' ILE . 70.7 t80 -63.04 -49.46 74.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.286 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.749 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.9 mp -54.61 -30.52 54.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.1 t -95.6 -24.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.045 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -75.42 -39.38 59.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.899 HD13 ' CE2' ' A' ' 109' ' ' PHE . 11.4 pt -92.23 -24.23 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 111.365 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.97 28.4 8.27 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.861 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.812 HD22 HD11 ' A' ' 113' ' ' ILE . 4.8 tp -76.87 -70.27 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.472 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.749 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.74 -165.27 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.418 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 145.38 48.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.505 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 4.1 p30 -55.27 -32.05 62.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.384 . . . . 0.0 110.66 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -79.4 -25.65 42.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.3 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB3' HG12 ' A' ' 44' ' ' ILE . 28.3 mt-30 -85.48 -8.63 58.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.217 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.794 HD22 ' HB2' ' A' ' 107' ' ' CYS . 47.9 mt -50.91 92.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.344 . . . . 0.0 111.116 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -115.1 82.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.467 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.3 p -94.23 123.33 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.304 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 22.1 m-70 -126.71 80.72 1.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.178 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.11 120.99 17.44 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.222 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.276 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.904 0.383 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.17 36.81 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.76 107.84 0.38 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.68 62.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -172.34 142.25 1.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -143.07 -47.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -163.71 -53.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.65 140.54 38.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.69 155.05 33.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.22 53.39 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.46 94.78 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.805 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.21 131.01 24.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.94 -33.36 71.96 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.468 2.112 . . . . 0.0 112.305 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.609 ' HA ' HD11 ' A' ' 17' ' ' ILE . 5.6 mtt -57.86 -26.87 62.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 p -73.57 -27.82 61.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.02 50.27 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.224 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 14' ' ' MET . 47.9 mt -120.18 107.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 61.56 33.3 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.95 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.82 29.22 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tp -139.12 32.77 2.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 26.7 t60 -125.73 20.79 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 p 54.59 -169.49 0.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.843 0.354 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.3 t80 59.61 100.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -176.92 157.68 1.39 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.0 -24.74 25.83 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.566 2.177 . . . . 0.0 112.293 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -111.6 45.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -174.89 75.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.054 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.64 175.43 11.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.93 164.16 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.59 -170.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -154.62 123.01 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.36 -141.24 23.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -176.34 96.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 t0 60.76 76.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 mp -79.34 119.09 21.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.98 153.96 82.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.64 -30.03 23.5 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.577 2.184 . . . . 0.0 112.288 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -137.51 72.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.84 24.2 6.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -111.4 -19.09 12.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.577 0.227 . . . . 0.0 111.21 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.52 12.56 7.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.501 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 t0 49.7 58.66 5.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.028 0.442 . . . . 0.0 111.051 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 40' ' ' THR . 20.3 m-30 -56.4 165.99 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.039 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.479 HD13 ' HA3' ' A' ' 62' ' ' GLY . 46.1 mm -114.64 92.08 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.624 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -63.73 134.2 54.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.903 -179.404 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.59 HD12 ' CG2' ' A' ' 106' ' ' ILE . 20.6 mm -93.35 -99.64 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.099 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.0 tpp180 85.42 119.45 0.04 OUTLIER 'General case' 0 C--N 1.344 0.356 0 CA-C-O 121.223 0.535 . . . . 0.0 111.957 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.809 HG23 HG22 ' A' ' 56' ' ' THR . 7.0 mt -99.65 155.02 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.38 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 5.5 pt20 -136.76 97.55 3.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.401 . . . . 0.0 111.251 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.4 OUTLIER -103.99 106.79 17.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.388 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.809 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -93.69 23.76 4.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.742 0.306 . . . . 0.0 111.484 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.08 20.57 64.74 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.44 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -148.02 -40.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.62 0.248 . . . . 0.0 111.326 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -79.47 62.13 3.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.113 0.483 . . . . 0.0 110.203 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.809 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -66.17 153.94 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.258 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.569 HD13 ' OE1' ' A' ' 97' ' ' GLN . 3.1 mt -154.13 75.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.2 m -52.86 142.96 17.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -131.43 147.77 52.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.93 0.395 . . . . 0.0 111.025 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.611 HG12 HG12 ' A' ' 63' ' ' ILE . 49.9 t -120.26 114.31 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.06 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.887 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -106.53 143.48 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.453 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.479 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 112.33 -35.45 4.65 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.634 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.736 HG23 ' CD2' ' A' ' 67' ' ' TYR . 8.2 mm -46.62 151.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.375 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.48 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -86.59 146.06 26.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.867 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.46 -17.95 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.658 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -25.52 64.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.638 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.819 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.7 m-30 -52.97 -177.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.007 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.563 ' C ' HD22 ' A' ' 72' ' ' LEU . 5.7 m-20 -103.48 79.51 1.7 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.224 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.627 ' O ' HG22 ' A' ' 73' ' ' VAL . 1.6 mttm -41.12 -43.06 2.16 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.386 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -68.71 -58.73 3.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.881 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -32.28 67.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.404 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.819 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -60.93 -59.67 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.96 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.904 HG13 HD12 ' A' ' 96' ' ' ILE . 5.5 m -75.88 -28.8 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.328 . . . . 0.0 110.715 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -68.6 -52.16 34.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.907 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.63 99.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.165 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.8 ' CD2' HD22 ' A' ' 98' ' ' LEU . 13.4 t80 -46.7 -54.08 10.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.019 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 42.2 mtmt -58.47 -20.32 44.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -81.64 -18.73 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.985 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -103.82 -40.79 6.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.693 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -121.57 -11.75 8.63 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.19 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.91 39.72 10.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.408 . . . . 0.0 110.861 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.429 ' HG ' ' CD ' ' A' ' 102' ' ' GLN . 79.1 m -105.39 134.51 48.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.89 104.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.91 130.09 9.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.338 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.4 p -130.22 152.18 49.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 0.0 111.275 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.707 ' HA ' HD13 ' A' ' 96' ' ' ILE . 12.4 p -98.37 133.32 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.666 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.1 pt -147.72 140.83 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 111.436 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -97.8 72.77 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.638 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -54.73 129.41 64.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.35 -13.14 23.03 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.422 2.081 . . . . 0.0 112.442 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -86.31 -23.94 26.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -122.71 -55.37 1.82 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.66 98.01 2.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.6 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.42 93.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.31 . . . . 0.0 111.132 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.887 HG12 ' HA ' ' A' ' 61' ' ' GLN . 34.0 m -140.03 144.1 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.904 HD12 HG13 ' A' ' 73' ' ' VAL . 1.5 mm -92.36 123.66 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.215 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.569 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -96.69 110.24 22.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.619 -179.099 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.848 HD11 HD13 ' A' ' 106' ' ' ILE . 13.6 mt -97.5 156.64 16.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.94 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -92.84 135.13 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.79 175.68 51.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.413 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -75.04 93.47 2.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.347 . . . . 0.0 110.669 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.429 ' CD ' ' HG ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -109.29 6.09 24.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.388 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.504 ' HA ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -48.74 -26.46 2.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.746 0.308 . . . . 0.0 111.216 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -99.6 -23.95 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.285 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -87.77 -43.21 12.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.138 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.848 HD13 HD11 ' A' ' 98' ' ' LEU . 4.2 tp -61.34 -49.84 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.761 ' HB2' HD22 ' A' ' 121' ' ' LEU . 26.4 p -56.77 -37.66 71.41 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.401 ' HG3' ' HG3' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -70.6 -33.37 70.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.52 178.625 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.917 ' CE2' HD13 ' A' ' 113' ' ' ILE . 84.9 t80 -72.86 -45.38 58.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.282 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.591 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.8 mp -54.75 -31.5 58.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.732 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.525 HG21 HD11 ' A' ' 121' ' ' LEU . 72.7 t -94.04 -29.96 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.401 ' HG3' ' HG3' ' A' ' 108' ' ' GLN . 3.5 mm-40 -68.79 -36.87 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.917 HD13 ' CE2' ' A' ' 109' ' ' PHE . 12.3 pt -97.02 -31.02 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.26 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.83 28.87 5.76 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.631 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.714 ' HB2' HD11 ' A' ' 113' ' ' ILE . 11.0 tp -74.05 -71.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.706 0.289 . . . . 0.0 110.664 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.13 -168.68 2.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.295 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 146.97 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.722 0.296 . . . . 0.0 110.274 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.41 -32.21 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.0 110.403 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -78.99 -22.43 45.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.174 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.453 ' HB3' HG12 ' A' ' 44' ' ' ILE . 21.0 mt-30 -89.57 -7.68 54.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.345 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.761 HD22 ' HB2' ' A' ' 107' ' ' CYS . 45.5 mt -54.07 89.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.87 0.367 . . . . 0.0 111.022 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -111.31 84.59 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.443 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 12.2 p -94.59 123.81 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.356 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 32.4 m-70 -128.78 75.07 1.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.07 120.33 21.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.365 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.111 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.774 0.321 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -100.18 154.18 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -116.08 119.91 4.71 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.6 t -114.12 -39.4 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 95.91 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.26 97.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.34 88.92 2.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -115.53 150.94 35.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -173.55 119.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -117.92 99.3 6.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -131.62 121.43 24.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -133.37 82.25 53.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.12 -20.78 32.22 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.627 2.218 . . . . 0.0 112.468 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.445 ' O ' HD11 ' A' ' 17' ' ' ILE . 9.8 mtt -55.66 -21.98 20.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.344 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.88 21.69 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.252 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.84 38.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.852 0.358 . . . . 0.0 111.003 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 18' ' ' GLN . 2.1 mp -59.19 157.53 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.198 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' N ' HG22 ' A' ' 17' ' ' ILE . 1.7 pm0 -152.8 165.45 35.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -129.18 -51.84 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 tp 57.02 46.66 18.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.7 t60 63.5 111.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -94.75 175.5 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 t80 60.9 77.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.54 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 20.8 p30 -137.42 62.71 38.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 24' ' ' ASP . 45.9 Cg_exo -56.13 -34.14 92.13 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.501 2.134 . . . . 0.0 112.342 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.34 -64.11 1.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . . . 63.04 51.12 2.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -24.47 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.18 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.13 110.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.274 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.59 -41.34 7.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.78 105.34 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.84 -69.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.488 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -168.8 39.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.1 -68.58 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.58 124.82 36.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.51 151.51 87.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.57 -34.21 20.26 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.545 2.163 . . . . 0.0 112.261 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.49 120.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.728 ' O ' HG23 ' A' ' 40' ' ' THR . . . -122.35 20.71 7.87 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.571 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -171.46 -38.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.835 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 63.68 14.04 7.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.613 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 t70 47.75 60.45 3.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.96 0.409 . . . . 0.0 111.043 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.488 ' CE1' ' O ' ' A' ' 40' ' ' THR . 17.3 m-85 -61.19 173.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.035 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 61' ' ' GLN . 23.8 mm -110.26 96.58 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.182 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.524 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -69.6 117.47 11.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.933 -178.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.701 HD12 ' CG2' ' A' ' 106' ' ' ILE . 34.3 mm -79.35 -97.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.335 178.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.3 132.19 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 111.974 178.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.547 HG23 HG22 ' A' ' 56' ' ' THR . 1.3 mt -113.6 156.02 14.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.298 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 3.6 pt20 -142.78 95.42 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.423 . . . . 0.0 111.109 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.546 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -99.7 97.15 8.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.617 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -55.25 -33.39 63.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -131.75 -151.38 0.46 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.848 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.57 29.94 6.41 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.343 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 56' ' ' THR . 9.8 ptp180 -178.08 -32.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.479 0.18 . . . . 0.0 111.456 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.84 70.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.937 0.399 . . . . 0.0 110.597 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.547 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -90.78 163.33 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.339 -179.462 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.539 HD22 ' OE1' ' A' ' 97' ' ' GLN . 5.6 mt -156.82 75.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.715 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.1 m -56.83 136.42 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.109 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -120.73 146.7 46.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.899 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.409 HG22 HG12 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -113.06 119.44 60.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.633 179.564 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -116.56 152.11 34.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.847 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.09 -34.89 5.27 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.085 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.924 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.5 mm -51.94 146.4 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 111.15 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.46 140.87 29.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.641 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -65.57 -19.59 65.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.697 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -70.4 -19.57 63.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.924 ' CD2' HG23 ' A' ' 63' ' ' ILE . 6.3 m-30 -51.91 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.509 ' C ' HD22 ' A' ' 72' ' ' LEU . 53.2 m-20 -92.61 76.86 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.202 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.63 -48.07 2.06 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.774 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 6.8 mtpm? -64.91 -46.67 80.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 10.98 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.048 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -105.78 -68.9 0.85 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 110.939 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.4 p -76.34 -39.54 34.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -65.46 -44.57 86.8 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.6 98.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.681 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.819 ' CD2' HD22 ' A' ' 98' ' ' LEU . 18.2 t80 -50.45 -39.01 46.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.747 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.7 mtpp -74.81 -6.67 50.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.472 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -104.84 -19.91 13.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.454 ' HD3' ' CE2' ' A' ' 80' ' ' PHE . 1.8 tttm -90.53 -46.43 8.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.324 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -115.36 -14.04 11.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.637 -179.587 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 69.06 43.26 1.14 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.996 0.427 . . . . 0.0 110.648 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.7 m -108.75 152.94 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.979 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.26 111.2 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.764 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.5 139.16 15.47 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.67 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.3 p -132.27 165.12 24.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.699 0.285 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.48 129.75 71.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -145.24 161.69 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.407 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -106.17 75.05 1.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.223 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.8 t-80 -54.44 138.57 59.36 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.497 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.12 -16.53 11.05 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -84.4 -22.48 30.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.4 m-85 -127.53 -54.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.043 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.78 100.76 2.65 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.739 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 63.57 87.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.439 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.525 HG11 ' HG3' ' A' ' 61' ' ' GLN . 17.4 m -141.31 140.08 32.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.785 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.675 ' O ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER -76.76 157.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.396 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.539 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -131.83 103.53 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.368 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.847 HD11 HD13 ' A' ' 106' ' ' ILE . 15.3 mt -91.49 156.72 17.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.897 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -93.24 135.54 34.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.884 0.373 . . . . 0.0 111.186 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.85 166.6 33.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -65.49 94.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.21 5.54 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.529 ' HA ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -47.41 -29.74 2.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.901 0.382 . . . . 0.0 111.138 -179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -25.52 17.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -85.15 -40.56 16.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.197 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.847 HD13 HD11 ' A' ' 98' ' ' LEU . 8.4 tp -61.64 -51.13 76.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.857 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.78 ' HB2' HD22 ' A' ' 121' ' ' LEU . 9.4 p -56.72 -35.0 68.05 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -33.19 68.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.572 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.888 ' CE2' HD13 ' A' ' 113' ' ' ILE . 68.0 t80 -73.89 -43.12 59.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.347 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 2.4 mp -58.02 -29.84 65.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.67 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 107' ' ' CYS . 48.9 t -93.83 -29.9 4.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.138 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.34 -36.72 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.888 HD13 ' CE2' ' A' ' 109' ' ' PHE . 6.7 pt -99.42 -23.17 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.4 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.8 32.19 8.18 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.409 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.67 ' HB2' HD11 ' A' ' 113' ' ' ILE . 8.4 tp -74.18 -69.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.075 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -94.42 -168.59 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.689 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.66 143.28 45.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.376 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.447 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.9 p-10 -53.28 -30.32 37.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.98 -26.3 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.248 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.463 ' HB3' HG12 ' A' ' 44' ' ' ILE . 32.8 mt-30 -83.8 -9.04 59.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.342 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 107' ' ' CYS . 51.8 mt -52.23 89.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.35 . . . . 0.0 111.178 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.418 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 3.1 mmtt -109.29 81.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.531 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 123' ' ' VAL . 13.2 p -91.97 117.54 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.488 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.524 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 31.2 m-70 -122.12 79.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.132 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.51 120.91 16.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.206 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.295 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.866 0.365 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 61.17 111.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.7 101.97 1.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.43 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.6 t -166.44 -74.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -137.35 -177.37 4.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -103.12 153.97 19.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -170.6 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -55.81 100.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -174.5 77.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.806 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.55 111.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.37 -56.62 10.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 59.92 95.36 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.18 -19.72 69.3 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.415 2.076 . . . . 0.0 112.312 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.49 ' HA ' HD11 ' A' ' 17' ' ' ILE . 3.3 mtm -57.16 -27.95 62.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.007 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -59.61 -35.76 74.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.72 87.65 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 14' ' ' MET . 33.7 mt -110.2 143.9 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -154.89 -178.63 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 59.9 34.74 21.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.561 HD13 ' C ' ' A' ' 20' ' ' LEU . 3.4 tm? -152.78 -60.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HB2' HD13 ' A' ' 20' ' ' LEU . 1.4 t60 -133.91 67.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -156.16 124.43 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -103.06 123.13 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.464 ' CG ' ' HB3' ' A' ' 27' ' ' ALA . 5.4 p30 -50.25 103.7 0.38 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.51 -15.17 48.45 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.739 2.293 . . . . 0.0 112.626 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -104.49 25.29 10.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.102 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' HB3' ' CG ' ' A' ' 24' ' ' ASP . . . -153.66 -146.51 0.19 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.47 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.95 177.09 5.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -173.0 160.96 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t -67.15 145.86 54.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -160.01 107.92 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.91 -116.09 3.65 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.556 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.3 t70 59.95 105.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.7 35.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.5 mt -118.91 105.9 11.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mp -97.8 153.9 38.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.22 138.33 54.77 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.537 2.158 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -175.88 159.44 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.68 -27.55 2.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.42 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -121.35 32.36 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.741 0.305 . . . . 0.0 110.863 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.86 -32.4 60.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.88 70.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.427 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.428 ' HB2' ' HG3' ' A' ' 122' ' ' LYS . 5.8 m-85 -69.22 172.78 6.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.448 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.681 HG23 ' O ' ' A' ' 61' ' ' GLN . 24.5 mm -109.13 101.01 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.137 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -79.24 116.4 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.068 -178.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.696 HD12 HG21 ' A' ' 106' ' ' ILE . 38.5 mm -70.57 -92.74 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.992 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.556 ' HA ' ' O ' ' A' ' 124' ' ' HIS . 0.1 OUTLIER 89.06 118.65 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.06 0.457 . . . . 0.0 112.099 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.819 HG23 HG22 ' A' ' 56' ' ' THR . 12.6 mt -104.21 158.69 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.147 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.473 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.0 pt20 -143.01 94.43 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.96 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.509 ' CG ' HG23 ' A' ' 56' ' ' THR . 1.4 tt0 -101.5 104.69 15.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.482 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -78.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.501 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -96.51 38.03 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 111.152 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.63 22.74 68.26 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.226 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 30.6 ptt180 -148.92 -47.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.711 0.291 . . . . 0.0 110.992 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -72.79 64.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 0.0 110.228 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.819 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -74.26 150.96 40.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.36 -179.339 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.733 HD13 ' NE2' ' A' ' 97' ' ' GLN . 6.4 mt -150.28 79.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.42 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 60.4 m -59.72 123.64 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.394 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -103.21 161.29 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.005 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.615 HG22 HG12 ' A' ' 106' ' ' ILE . 21.5 t -128.63 116.95 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.05 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.681 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -111.71 153.61 26.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.629 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.27 -42.57 1.93 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.457 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.942 HG23 ' CD2' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -48.08 145.45 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.015 0.436 . . . . 0.0 110.947 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.45 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -81.3 161.6 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.506 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -79.44 -14.09 59.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.168 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -94.45 26.81 3.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.942 ' CD2' HG23 ' A' ' 63' ' ' ILE . 3.8 m-30 -92.14 19.32 7.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.288 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.05 77.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.881 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.508 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -39.83 -33.17 0.18 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.34 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -65.59 -51.13 62.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.588 179.556 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 25.01 2.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.416 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 115' ' ' LEU . 1.7 tt -115.77 -50.44 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.346 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.888 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -94.46 -36.39 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.405 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -56.98 -41.06 77.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.998 0.427 . . . . 0.0 110.26 179.533 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.648 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.05 -28.4 69.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.402 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.618 ' CD2' HD22 ' A' ' 98' ' ' LEU . 6.5 t80 -64.49 -49.54 70.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.487 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 9.1 mtmt -63.34 -17.27 62.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -20.46 22.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.107 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -98.58 -47.99 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.588 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.51 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -115.15 -18.58 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.76 -179.379 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 72.99 41.63 0.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.992 0.425 . . . . 0.0 110.842 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.54 147.03 32.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.23 104.21 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.69 107.28 3.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.529 ' O ' HD13 ' A' ' 96' ' ' ILE . 68.0 p -107.33 162.24 14.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 111.069 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.4 p -114.05 68.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.844 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.678 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.5 pt -74.38 156.46 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.029 0.442 . . . . 0.0 111.63 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -109.62 73.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.14 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -54.47 134.13 62.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.322 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.85 -16.39 14.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.545 2.163 . . . . 0.0 112.36 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.481 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -84.32 -23.96 30.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.434 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.3 m-85 -122.21 -53.33 1.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.71 99.14 2.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.574 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.03 94.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 111.291 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 89' ' ' HIS . 17.7 m -143.77 145.37 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.65 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.888 HD12 ' CG1' ' A' ' 73' ' ' VAL . 2.8 mm -82.12 128.31 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.879 0.371 . . . . 0.0 110.577 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.733 ' NE2' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -104.69 110.14 22.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.71 -179.021 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.973 HD11 HD13 ' A' ' 106' ' ' ILE . 6.3 mt -95.67 157.67 15.79 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.54 139.2 30.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.874 0.368 . . . . 0.0 111.117 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.36 173.1 35.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -74.06 94.71 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.504 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.426 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -105.13 9.79 34.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.595 ' O ' HG21 ' A' ' 123' ' ' VAL . 3.4 ptt85 -47.33 -28.81 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.73 0.3 . . . . 0.0 111.212 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.26 -21.48 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.325 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -89.62 -39.54 13.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.184 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.973 HD13 HD11 ' A' ' 98' ' ' LEU . 7.8 tp -62.31 -51.82 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.96 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.681 ' HB2' HD22 ' A' ' 121' ' ' LEU . 6.0 p -56.92 -32.33 65.83 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -73.31 -33.66 65.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.657 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.905 ' CE2' HD13 ' A' ' 113' ' ' ILE . 77.3 t80 -74.42 -44.65 50.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.379 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.585 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.0 mp -58.04 -29.48 65.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 107' ' ' CYS . 46.7 t -92.64 -31.05 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.993 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.06 -41.62 77.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.905 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.1 pt -92.22 -19.88 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.431 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.38 30.36 14.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.563 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.75 HD22 HD11 ' A' ' 113' ' ' ILE . 7.4 tp -74.52 -67.43 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -96.85 176.94 5.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 146.82 28.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.581 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -54.61 -30.95 56.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.006 0.431 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -78.56 -23.1 46.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.365 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.477 ' HB3' HG12 ' A' ' 44' ' ' ILE . 32.8 mt-30 -87.32 -11.6 48.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.107 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 107' ' ' CYS . 39.5 mt -50.53 89.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.977 0.418 . . . . 0.0 111.389 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.428 ' HG3' ' HB2' ' A' ' 43' ' ' TYR . 11.7 mmtt -113.32 81.01 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.076 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.595 HG21 ' O ' ' A' ' 103' ' ' ARG . 12.0 p -94.22 128.86 45.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.163 -178.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.556 ' O ' ' HA ' ' A' ' 47' ' ' ARG . 1.7 m-70 -146.66 91.5 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.715 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 126' ' ' PHE . . . -45.95 -93.74 0.01 OUTLIER Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.56 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.425 ' CZ ' ' OE1' ' A' ' 50' ' ' GLN . 1.3 p90 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.857 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.815 0.341 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.66 143.72 31.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.0 -100.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.9 p -116.05 173.6 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.09 -49.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.51 105.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 0.2 OUTLIER -73.91 81.31 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.406 ' CG ' ' O ' ' A' ' 7' ' ' HIS . 3.8 m170 -169.73 34.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.9 11.08 17.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.371 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 53.95 57.84 5.61 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.951 0.405 . . . . 0.0 111.047 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.49 120.67 9.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 28.8 t70 -130.35 53.35 11.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 12' ' ' ASP . 73.3 Cg_endo -75.62 -3.95 14.58 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.663 2.242 . . . . 0.0 112.726 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.605 ' HA ' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -71.96 -9.43 58.35 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.5 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.22 39.59 1.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 111.079 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.25 39.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.022 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' A' ' 14' ' ' MET . 20.0 mt -90.28 156.51 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' N ' HG22 ' A' ' 17' ' ' ILE . 9.3 pt20 -140.47 134.62 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.61 64.61 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.3 tp 60.51 80.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -154.48 172.8 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.3 p -99.97 -176.68 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.5 147.73 47.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.904 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 3.8 m-20 -133.41 69.16 77.35 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 38.5 Cg_exo -60.32 -30.43 91.02 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.621 2.214 . . . . 0.0 112.236 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -128.72 52.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . . . -149.33 103.09 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -103.47 66.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.96 46.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -76.58 82.98 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 143.09 43.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.781 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.4 -136.74 6.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.555 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.01 61.4 6.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -159.81 112.96 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.823 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.06 165.88 6.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.75 146.54 94.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.99 116.88 3.45 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 112.365 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.0 130.57 41.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.83 45.05 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.544 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.431 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 1.8 p -109.36 -38.15 5.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 53.28 22.56 2.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.507 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 46.34 62.3 2.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.231 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.9 m-30 -67.6 174.54 3.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.774 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.445 HG12 ' HB3' ' A' ' 120' ' ' GLN . 19.3 mm -113.04 97.89 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.462 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -70.16 131.11 43.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.71 -179.287 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.785 HD12 HG21 ' A' ' 106' ' ' ILE . 31.0 mm -91.16 -99.27 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.41 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 7.1 tpt180 92.96 130.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.357 0.599 . . . . 0.0 112.457 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.782 HD11 ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -106.03 166.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.027 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.552 ' N ' HG23 ' A' ' 48' ' ' ILE . 10.1 pt20 -157.17 98.12 1.7 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.177 0.513 . . . . 0.0 111.061 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 4.6 tt0 -99.63 93.75 6.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.809 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -55.82 21.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -104.45 -150.95 0.43 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.722 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.4 37.19 3.43 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.213 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.1 OUTLIER 174.52 -29.3 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -65.05 68.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.996 0.427 . . . . 0.0 111.223 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.861 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -87.78 149.53 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.949 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.861 HD12 ' O ' ' A' ' 56' ' ' THR . 3.3 mp -144.78 86.34 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -62.92 122.78 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.303 . . . . 0.0 111.194 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -99.85 167.14 10.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.414 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.54 HG22 HG12 ' A' ' 106' ' ' ILE . 49.0 t -137.11 115.22 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.008 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.529 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -116.59 141.02 48.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.48 -30.33 7.32 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.127 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.879 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -60.77 145.79 12.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.95 0.405 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.785 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.84 148.5 31.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.15 -7.24 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.201 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -94.85 23.3 5.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.395 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.879 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.5 m-30 -89.06 22.35 2.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.424 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 70' ' ' LYS . 3.6 t70 78.76 -14.76 0.83 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.873 ' HE3' HG11 ' A' ' 86' ' ' VAL . 12.6 tttt 62.98 -76.39 0.03 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.795 0.331 . . . . 0.0 111.15 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -53.05 -58.97 5.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.208 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -53.45 -24.08 11.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.442 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.654 HD13 HG13 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -66.61 -57.98 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.219 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.874 ' CG1' HD12 ' A' ' 96' ' ' ILE . 2.3 m -87.45 -29.13 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.474 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -43.66 74.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.652 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -70.73 -30.95 67.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.458 ' CD1' HD22 ' A' ' 98' ' ' LEU . 6.3 t80 -64.07 -47.4 80.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.25 -13.77 59.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.361 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -100.59 -19.31 16.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.585 0.231 . . . . 0.0 111.298 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.436 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 5.7 tttm -98.08 -37.63 9.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.604 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.524 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 7.5 m-85 -114.45 -18.15 11.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.21 33.88 1.1 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 26.7 m -108.44 179.19 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.6 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.739 ' ND2' HG23 ' A' ' 85' ' ' THR . 0.0 OUTLIER -100.64 118.3 36.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.421 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.65 106.64 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.271 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.739 HG23 ' ND2' ' A' ' 83' ' ' ASN . 35.2 p -104.3 156.68 17.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.873 HG11 ' HE3' ' A' ' 69' ' ' LYS . 9.2 p -116.47 71.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -81.67 149.78 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.274 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -103.76 73.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.522 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -57.45 136.94 81.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.094 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.56 -20.62 10.65 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.555 2.17 . . . . 0.0 112.26 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -79.43 -24.18 42.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.461 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -120.09 -49.5 2.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.11 -179.686 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.24 96.7 2.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 62.06 91.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 61' ' ' GLN . 19.4 m -137.58 143.85 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.874 HD12 ' CG1' ' A' ' 73' ' ' VAL . 1.4 mm -83.4 127.71 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.363 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.413 ' OE1' HD23 ' A' ' 57' ' ' LEU . 1.9 mt-30 -102.32 106.22 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.368 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.98 HD11 HD13 ' A' ' 106' ' ' ILE . 8.6 mt -89.96 159.91 16.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.898 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -94.07 141.81 28.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.964 0.411 . . . . 0.0 111.374 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 73.64 -179.5 40.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.591 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.782 ' HA ' HD11 ' A' ' 48' ' ' ILE . 30.9 p-10 -80.9 90.03 5.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.977 0.418 . . . . 0.0 110.718 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.464 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -103.25 13.99 32.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.123 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.94 -27.3 3.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -103.06 -21.95 13.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.102 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -85.74 -37.25 19.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.98 HD13 HD11 ' A' ' 98' ' ' LEU . 6.8 tp -62.95 -52.45 59.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.979 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.788 ' HB3' HD22 ' A' ' 121' ' ' LEU . 71.0 m -58.04 -30.44 66.15 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -73.96 -32.81 63.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.575 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.919 ' CE2' HD13 ' A' ' 113' ' ' ILE . 76.0 t80 -75.83 -44.81 39.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.389 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.692 HD23 ' CB ' ' A' ' 116' ' ' ALA . 6.3 mp -57.07 -30.53 64.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.604 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 107' ' ' CYS . 60.1 t -90.84 -31.11 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.76 -42.01 74.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.919 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.2 pt -91.52 -19.97 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.403 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.03 33.99 11.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.561 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.891 HD22 HD11 ' A' ' 113' ' ' ILE . 6.1 tp -78.24 -70.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.0 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.692 ' CB ' HD23 ' A' ' 110' ' ' LEU . . . -92.41 -179.72 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.731 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 154.81 18.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.549 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -29.03 70.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.99 0.424 . . . . 0.0 110.241 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -81.54 -29.13 33.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.169 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.448 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 32.0 mt-30 -78.73 -10.72 59.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.217 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.788 HD22 ' HB3' ' A' ' 107' ' ' CYS . 62.4 mt -51.85 88.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.979 0.418 . . . . 0.0 111.122 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.8 mmtt -111.12 89.16 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.54 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.6 p -94.26 125.66 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.866 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.523 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 20.8 m-70 -135.95 36.1 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.953 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.441 ' CA ' ' HB ' ' A' ' 48' ' ' ILE . . . -56.46 88.32 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.58 -0.736 . . . . 0.0 113.088 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.437 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.022 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ptt? . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.03 119.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.34 -62.5 0.27 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.1 t -145.58 173.78 11.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 110.829 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -77.03 -76.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.4 t60 60.36 85.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -125.39 104.41 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.714 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.6 m170 62.18 -83.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 46.72 75.32 0.12 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.86 0.362 . . . . 0.0 111.209 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.95 64.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -128.5 67.94 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -75.36 152.11 85.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.58 -36.27 59.59 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.525 2.15 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.1 mtp -74.41 -32.87 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 p -59.81 -31.07 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.71 74.99 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 mt -84.02 90.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -159.5 29.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.032 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 86.7 m-20 -83.96 -87.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 21.8 tp 176.58 -75.7 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -122.65 -177.88 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.025 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 t -59.62 109.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -60.74 144.8 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -115.93 146.72 37.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.12 -23.52 29.45 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.549 2.166 . . . . 0.0 112.342 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -109.35 27.72 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.06 80.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.07 -28.87 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.73 150.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.986 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 p 59.22 -167.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.902 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.02 115.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.824 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 126.27 -44.68 1.22 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.601 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -144.09 33.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.775 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -135.03 -61.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.49 109.67 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 36' ' ' LEU . 4.0 mm? -64.35 146.2 97.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.17 111.25 3.24 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.486 2.124 . . . . 0.0 112.293 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.83 118.97 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.7 -44.84 1.15 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.596 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.445 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -109.7 -14.79 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.575 0.226 . . . . 0.0 111.279 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 3.2 mm-40 60.26 17.76 7.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 0.0 111.303 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.6 t0 49.2 63.64 2.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.92 0.39 . . . . 0.0 111.117 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.45 ' O ' HD13 ' A' ' 44' ' ' ILE . 18.9 m-30 -69.43 172.57 6.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 43' ' ' TYR . 15.9 mm -116.06 96.53 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.047 0.451 . . . . 0.0 110.522 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.513 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -66.81 122.99 18.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.948 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.691 HD12 ' CG2' ' A' ' 106' ' ' ILE . 30.1 mm -84.18 -96.85 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.043 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.85 125.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.321 0.582 . . . . 0.0 112.429 178.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.899 HG23 HG22 ' A' ' 56' ' ' THR . 5.3 mt -109.71 154.96 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.813 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HG3' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -138.15 94.17 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.016 0.436 . . . . 0.0 111.242 179.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.646 ' CG ' HG23 ' A' ' 56' ' ' THR . 2.7 tt0 -102.61 125.58 49.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.595 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.68 128.25 36.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.256 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.0 t30 51.47 29.23 5.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.267 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.59 17.14 76.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.387 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -145.66 -175.85 4.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.597 0.237 . . . . 0.0 110.772 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt 40.67 78.26 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.867 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.899 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -86.86 151.81 23.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.132 -179.261 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 56' ' ' THR . 1.1 mp -146.09 88.37 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -66.73 123.44 20.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.812 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.525 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -104.64 158.97 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 0.0 111.229 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.486 HG22 HG12 ' A' ' 106' ' ' ILE . 66.4 t -126.83 113.91 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.0 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.578 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -118.05 140.78 49.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.347 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.74 -27.67 9.08 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.881 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.83 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.1 mm -64.49 147.74 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.982 0.42 . . . . 0.0 111.023 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.754 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -76.04 145.0 40.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.352 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.64 -9.06 58.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.257 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -94.16 23.09 5.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.297 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.83 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.4 m-30 -90.02 19.27 5.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.486 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 49.36 86.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.784 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.3 mptt -36.74 -38.8 0.18 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.529 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -61.35 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.088 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -79.65 59.17 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.258 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.639 HD21 HD21 ' A' ' 115' ' ' LEU . 1.8 tt -156.2 -66.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.24 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.639 ' HB ' HD12 ' A' ' 96' ' ' ILE . 13.6 p -89.28 -33.53 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.992 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -61.22 -41.41 96.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.073 0.463 . . . . 0.0 109.984 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.32 -29.2 70.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.585 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CE1' HD21 ' A' ' 98' ' ' LEU . 13.2 t80 -57.65 -54.46 46.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.663 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -63.87 -13.21 43.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.313 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -96.36 -19.31 19.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.654 0.264 . . . . 0.0 111.094 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -94.69 -46.1 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.715 -179.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 1.3 m-85 -109.83 -15.24 14.15 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.93 28.68 0.85 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 60.9 m -96.35 -170.72 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.63 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.4 OUTLIER -110.13 108.59 18.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.118 0.485 . . . . 0.0 110.827 179.82 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.51 ' HA2' HD12 ' A' ' 98' ' ' LEU . . . -105.17 135.37 12.53 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.378 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.625 ' O ' HD13 ' A' ' 96' ' ' ILE . 12.9 p -139.05 167.91 21.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 111.3 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.4 p -121.69 140.02 46.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.4 HD13 ' CD ' ' A' ' 97' ' ' GLN . 16.6 pt -150.37 145.4 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.354 . . . . 0.0 111.368 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 94' ' ' GLU . 20.4 tt0 -98.81 70.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.037 0.446 . . . . 0.0 110.549 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.443 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 3.1 t-80 -53.29 142.47 38.4 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.197 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 97.2 Cg_endo -80.49 -26.5 3.94 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.583 2.188 . . . . 0.0 112.444 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.3 -20.97 31.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.601 ' HD2' HG21 ' A' ' 95' ' ' VAL . 1.2 m-85 -116.12 -49.94 2.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.051 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.49 97.86 1.39 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.689 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 88' ' ' GLU . 2.9 tp10 61.58 84.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.291 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.601 HG21 ' HD2' ' A' ' 92' ' ' TYR . 16.4 m -136.35 141.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.85 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.639 HD12 ' HB ' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -79.6 141.23 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.124 179.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.726 ' CD ' HD23 ' A' ' 57' ' ' LEU . 1.7 tt0 -114.15 101.94 9.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.921 0.391 . . . . 0.0 111.734 -179.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.597 HD21 ' CE1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -81.94 170.12 15.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.837 178.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -108.98 138.28 45.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.319 . . . . 0.0 110.825 179.628 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 72.06 169.24 11.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.08 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -67.05 89.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.437 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -104.04 4.9 34.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.919 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.545 ' HB2' HG23 ' A' ' 123' ' ' VAL . 4.5 ptm180 -46.85 -27.9 1.39 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.847 0.356 . . . . 0.0 111.159 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -93.43 -25.67 17.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -88.81 -36.61 15.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.129 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.691 ' CG2' HD12 ' A' ' 46' ' ' ILE . 7.4 tp -62.36 -52.0 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.837 ' HB2' HD22 ' A' ' 121' ' ' LEU . 4.7 p -55.89 -36.1 67.27 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -33.17 70.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.546 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.879 ' CE2' HD13 ' A' ' 113' ' ' ILE . 75.5 t80 -71.8 -44.45 63.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.509 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.666 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.4 mp -58.09 -30.13 66.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.5 t -92.63 -27.14 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.85 -37.32 64.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.904 HD11 HD22 ' A' ' 115' ' ' LEU . 9.4 pt -95.48 -19.09 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.525 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.31 30.05 15.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.657 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.904 HD22 HD11 ' A' ' 113' ' ' ILE . 5.6 tp -77.97 -70.26 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.666 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -95.76 -167.3 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.57 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.09 158.36 28.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.587 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.407 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.5 m-20 -63.55 -26.28 68.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.992 0.425 . . . . 0.0 110.413 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -81.81 -31.91 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.439 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 27.7 mt-30 -77.85 -11.9 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.228 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.837 HD22 ' HB2' ' A' ' 107' ' ' CYS . 79.2 mt -50.07 92.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.951 0.405 . . . . 0.0 111.133 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.412 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 2.1 mmtt -111.15 75.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.3 p -88.91 112.91 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.136 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.513 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 40.7 m-70 -114.07 -32.7 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.339 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.36 -113.87 5.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.051 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 2.0 p90 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.787 0.327 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.89 35.49 16.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.1 -151.86 27.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.425 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.87 -170.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -62.83 158.65 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -88.75 141.35 28.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.55 151.73 46.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.62 -173.7 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -110.43 58.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 -51.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 64.0 m -77.1 136.05 38.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -169.39 138.16 1.62 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.822 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.06 -43.25 60.0 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.36 2.04 . . . . 0.0 112.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 mmt -76.88 -27.58 55.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.84 -31.08 68.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.15 72.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.9 mt -80.23 100.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.11 110.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -58.8 -32.07 69.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 tp -98.16 161.59 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.91 85.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.798 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.22 91.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -84.27 168.59 15.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -140.23 102.35 6.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.18 -21.22 50.49 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.407 2.071 . . . . 0.0 112.255 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.1 -76.86 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.24 95.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -94.14 65.13 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.31 170.85 17.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t 63.77 130.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 60.95 57.35 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.68 -60.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -99.25 46.91 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.977 0.417 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.9 t70 61.01 52.56 4.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 89.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.64 141.6 96.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.06 -36.08 83.55 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.266 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.7 172.04 14.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.86 46.28 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.438 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -92.45 -36.38 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.019 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 52.83 21.83 2.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.641 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 47.91 60.72 3.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.969 0.414 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.47 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.9 m-30 -65.02 168.05 7.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -110.68 100.9 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.997 179.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.526 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -77.38 120.05 21.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.141 -178.787 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.728 HD12 ' CG2' ' A' ' 106' ' ' ILE . 34.4 mm -77.56 -97.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.197 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 83.48 126.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.218 0.532 . . . . 0.0 112.367 178.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.642 ' CG2' HG22 ' A' ' 56' ' ' THR . 40.9 mt -104.18 158.69 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.038 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.458 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.1 pt20 -136.01 87.53 2.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.915 0.388 . . . . 0.0 110.67 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HG3' HG23 ' A' ' 56' ' ' THR . 3.5 tt0 -92.83 106.9 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.328 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.85 123.44 27.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.087 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 t30 64.06 21.88 12.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.709 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.68 30.81 76.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.9 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 33.8 mmm-85 -144.57 -58.31 0.36 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.73 0.265 . . . . 0.0 111.487 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -65.73 71.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.945 0.403 . . . . 0.0 111.024 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.642 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -75.96 130.29 38.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.942 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.631 HD23 ' HG2' ' A' ' 97' ' ' GLN . 1.1 mp -139.57 96.24 3.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.594 HG21 ' N ' ' A' ' 103' ' ' ARG . 0.2 OUTLIER -71.67 117.58 13.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.021 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -103.01 147.37 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.406 . . . . 0.0 110.844 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 106' ' ' ILE . 1.7 t -113.25 113.82 45.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.591 ' HG3' HG11 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -114.21 141.36 47.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.596 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 44' ' ' ILE . . . 113.36 -21.43 17.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.751 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.9 HG23 ' CE2' ' A' ' 67' ' ' TYR . 3.0 mm -66.66 150.24 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.663 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -88.74 131.58 34.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.602 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.44 -20.5 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.53 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.89 -23.03 67.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.735 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.9 ' CE2' HG23 ' A' ' 63' ' ' ILE . 6.8 m-30 -51.65 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.985 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.64 65.58 2.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.163 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -32.69 -42.81 0.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.874 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -55.67 -55.37 32.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -81.74 -22.79 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.815 HD11 HD21 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -51.78 -66.64 0.35 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.089 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.651 HG22 ' HE2' ' A' ' 77' ' ' LYS . 7.7 p -79.0 -38.81 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.482 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 5.1 tttm -53.2 -45.23 68.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.833 0.349 . . . . 0.0 110.787 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.85 -30.07 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.626 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.722 ' CD2' HD22 ' A' ' 98' ' ' LEU . 10.5 t80 -63.91 -47.11 81.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.651 ' HE2' HG22 ' A' ' 73' ' ' VAL . 27.0 mtmt -67.9 -12.35 60.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.201 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -96.88 -18.42 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.959 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 5.4 tttm -99.44 -48.5 4.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.441 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 0.6 OUTLIER -110.51 -12.57 14.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.798 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.71 46.13 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 0.0 110.648 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.3 m -112.4 136.27 52.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.946 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.43 95.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.549 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -103.28 131.43 10.62 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.477 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.2 p -139.08 123.46 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 111.547 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.6 p -83.37 117.79 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.756 HD12 ' HB2' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -130.93 149.4 33.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.757 0.313 . . . . 0.0 111.185 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -86.13 79.92 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.039 0.447 . . . . 0.0 110.479 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.498 ' HB2' HG22 ' A' ' 95' ' ' VAL . 2.2 t-80 -57.53 141.08 79.33 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.314 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.63 -17.19 8.75 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.687 2.258 . . . . 0.0 112.505 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -83.15 -23.68 32.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.966 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.4 m-85 -129.57 -53.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.99 106.95 2.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.63 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 66.73 76.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 0.0 111.51 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.598 ' O ' HD13 ' A' ' 87' ' ' ILE . 35.5 m -138.6 140.52 39.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.434 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 59' ' ' THR . 0.8 OUTLIER -73.46 154.53 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.343 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.756 ' HB2' HD12 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -128.2 95.21 4.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.187 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.722 HD22 ' CD2' ' A' ' 76' ' ' PHE . 73.8 mt -85.68 158.16 20.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.405 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.42 141.16 30.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.83 -176.34 54.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.503 ' HA ' HD13 ' A' ' 48' ' ' ILE . 11.2 p-10 -85.17 80.14 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.038 0.447 . . . . 0.0 110.447 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.506 ' C ' HG21 ' A' ' 58' ' ' THR . 0.2 OUTLIER -98.24 13.13 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.172 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.594 ' N ' HG21 ' A' ' 58' ' ' THR . 0.0 OUTLIER -46.88 -36.71 7.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 110.967 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.5 -26.25 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.246 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.434 ' HB2' ' HG3' ' A' ' 102' ' ' GLN . 1.4 m-20 -70.28 -47.05 62.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.714 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.728 ' CG2' HD12 ' A' ' 46' ' ' ILE . 10.0 tp -61.83 -49.34 84.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.614 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.831 ' SG ' HD22 ' A' ' 121' ' ' LEU . 21.7 t -56.22 -32.96 64.91 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.412 ' HG3' ' HG3' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -74.69 -37.8 62.55 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.59 178.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.819 ' CE2' HD13 ' A' ' 113' ' ' ILE . 77.3 t80 -68.51 -50.49 51.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.33 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.644 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 3.3 mp -56.08 -28.94 59.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.632 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 107' ' ' CYS . 57.5 t -91.97 -30.88 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.939 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.412 ' HG3' ' HG3' ' A' ' 108' ' ' GLN . 3.8 mm-40 -70.83 -40.82 72.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.819 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.4 pt -93.18 -14.01 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.586 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.98 33.73 26.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.84 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.872 HD11 ' CD2' ' A' ' 67' ' ' TYR . 11.6 tp -79.98 -76.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.645 0.26 . . . . 0.0 111.163 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -74.54 -163.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.424 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 144.38 49.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.373 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.4 p-10 -55.43 -30.13 59.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -78.38 -21.31 49.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.152 0.501 . . . . 0.0 109.878 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.495 ' HB3' HD13 ' A' ' 44' ' ' ILE . 11.2 mt-30 -100.65 -9.5 21.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.315 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.831 HD22 ' SG ' ' A' ' 107' ' ' CYS . 31.0 mt -55.26 92.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 110.789 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -114.16 87.33 2.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.033 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.4 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 13.8 p -100.47 128.93 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.039 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.526 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 9.8 m-70 -134.66 87.11 2.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.784 0.326 . . . . 0.0 111.59 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.97 117.87 12.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.996 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.315 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.858 0.361 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.3 130.76 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.4 -38.86 2.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.427 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.3 p -107.69 109.39 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.421 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 2.1 p80 -146.57 36.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -87.03 -39.33 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -124.5 112.28 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.07 -36.15 35.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.9 95.48 9.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.975 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 63.12 125.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.98 91.3 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -150.37 64.2 6.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.0 -20.92 31.91 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.633 2.222 . . . . 0.0 112.372 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.1 mtt -96.58 31.39 2.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.8 t -109.71 32.56 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.56 31.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.074 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 18' ' ' GLN . 21.3 mt -100.23 159.72 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.289 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' N ' HG22 ' A' ' 17' ' ' ILE . 21.3 tt0 -70.48 99.36 1.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.802 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -109.42 95.03 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp 68.47 -69.55 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.79 135.77 33.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.7 -26.42 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.058 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 64.46 123.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.854 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.751 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . 68.7 m-20 60.5 94.27 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.11 -30.64 50.92 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.504 2.136 . . . . 0.0 112.152 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -126.41 -47.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.764 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.751 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . . . 61.42 115.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -100.42 -178.2 3.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.85 98.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.9 p -140.43 -54.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -62.65 -56.75 14.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.59 21.48 79.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.623 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -123.51 36.44 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.527 ' C ' HD22 ' A' ' 35' ' ' LEU . 37.1 t0 -84.74 56.88 4.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.527 HD22 ' C ' ' A' ' 34' ' ' ASP . 4.4 mm? -119.0 124.55 47.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.781 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -110.57 127.84 26.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 58.8 Cg_endo -72.0 -166.2 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.405 2.07 . . . . 0.0 112.262 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 37' ' ' PRO . . . 67.01 106.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.57 -140.06 4.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.565 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 p -155.08 104.56 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.374 . . . . 0.0 110.746 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 5.5 mt-10 -131.21 57.85 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 60.53 57.79 2.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.307 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.465 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 16.8 m-30 -89.04 171.41 9.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.022 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.61 HG13 ' HB2' ' A' ' 116' ' ' ALA . 24.2 mm -107.94 97.1 5.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.355 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -71.03 115.89 10.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.941 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.634 HD12 ' CG2' ' A' ' 106' ' ' ILE . 31.6 mm -74.24 -95.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.387 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 9.9 tpt180 85.74 120.87 0.04 OUTLIER 'General case' 0 C--N 1.344 0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 112.048 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.69 ' CG2' HG22 ' A' ' 56' ' ' THR . 11.4 mt -108.41 156.58 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.278 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.5 pt20 -134.81 100.33 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.606 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.513 ' HG3' HG23 ' A' ' 56' ' ' THR . 3.0 tt0 -100.75 115.37 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.276 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' HB2' ' CB ' ' A' ' 55' ' ' LYS . 4.1 mtp85 -100.46 137.33 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 59.54 21.4 9.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.894 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.12 46.91 92.26 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.63 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 13.7 ptm180 -175.12 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.691 0.282 . . . . 0.0 111.35 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -69.97 68.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.992 0.425 . . . . 0.0 110.76 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.742 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -79.92 138.83 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.99 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 56' ' ' THR . 1.4 mp -145.32 97.82 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.607 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.486 HG23 ' CG1' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -71.17 126.46 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.213 -179.659 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -108.64 155.34 20.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.892 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 106' ' ' ILE . 55.0 t -123.65 117.83 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.298 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.796 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -115.16 140.33 49.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.345 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.0 -40.88 2.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.948 HG23 ' CD2' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -48.52 148.02 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-O 120.786 0.326 . . . . 0.0 110.325 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.5 165.36 13.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.062 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.37 -28.2 63.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.262 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.93 -29.83 70.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.175 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.948 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.0 m-30 -52.77 117.87 3.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.49 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.83 ' O ' HD22 ' A' ' 72' ' ' LEU . 3.7 m-20 -49.29 97.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.36 . . . . 0.0 111.042 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HD2' HG11 ' A' ' 86' ' ' VAL . 12.2 ttpp -41.64 -56.59 2.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.622 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 74' ' ' LYS . 22.2 mttp -59.26 -49.16 78.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.402 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.555 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 16.5 tptt -56.1 -16.72 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.57 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.935 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -99.12 -63.25 1.14 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.481 0.181 . . . . 0.0 111.312 -179.563 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 74' ' ' LYS . 8.5 p -78.36 -46.44 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.703 0.287 . . . . 0.0 111.224 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.463 ' N ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -61.69 -43.64 98.46 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.326 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -66.61 -39.16 88.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.075 178.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.797 ' CD2' HD22 ' A' ' 98' ' ' LEU . 18.1 t80 -50.64 -39.65 51.04 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -74.33 -6.61 49.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.32 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -104.31 -22.2 13.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.845 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.29 -43.37 10.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.373 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -116.86 -14.1 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.687 -179.422 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 69.45 37.86 1.91 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.6 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.7 t -107.1 157.91 17.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.931 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.99 125.36 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -133.63 146.33 18.27 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.64 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.448 ' O ' HD13 ' A' ' 96' ' ' ILE . 29.6 p -143.54 161.43 38.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.709 0.29 . . . . 0.0 110.852 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 86' ' ' VAL . 10.2 p -110.26 107.68 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -111.66 159.91 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 111.347 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -106.68 73.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.045 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -49.11 139.23 13.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.605 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.34 -20.0 11.4 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.56 2.173 . . . . 0.0 112.105 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.444 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -80.75 -23.62 39.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -119.67 -50.48 2.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 118.38 -17.17 11.45 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.331 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.3 105.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.918 0.359 . . . . 0.0 111.052 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.796 HG12 ' HA ' ' A' ' 61' ' ' GLN . 15.6 m -152.25 151.77 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.538 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -78.1 158.14 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.515 ' CD ' HD23 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -132.17 90.68 2.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.839 0.352 . . . . 0.0 111.484 -179.278 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 106' ' ' ILE . 13.7 mt -78.04 157.82 29.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.049 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.45 147.05 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 69.27 177.91 17.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.221 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.451 ' HA ' HD13 ' A' ' 48' ' ' ILE . 14.2 p-10 -79.23 95.05 5.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.406 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -106.48 7.99 31.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.847 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.442 ' HB2' ' CG2' ' A' ' 123' ' ' VAL . 0.0 OUTLIER -48.54 -27.61 2.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 111.184 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -93.25 -24.46 18.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -92.42 -36.26 13.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.268 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 1.023 HD13 HD11 ' A' ' 98' ' ' LEU . 8.0 tp -63.73 -50.79 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.034 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.7 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -57.82 -35.15 70.46 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.432 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -31.31 64.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.495 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.88 ' CE2' HD13 ' A' ' 113' ' ' ILE . 76.6 t80 -71.18 -53.47 14.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.531 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.462 ' CD2' HG21 ' A' ' 44' ' ' ILE . 4.7 mp -55.63 -27.15 48.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.555 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 107' ' ' CYS . 60.5 t -90.13 -30.11 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.26 -52.76 12.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.819 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.88 HD13 ' CE2' ' A' ' 109' ' ' PHE . 11.7 pt -76.52 -13.99 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.61 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.84 30.19 29.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.584 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.775 HD22 HD11 ' A' ' 113' ' ' ILE . 8.3 tp -73.2 -66.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.417 . . . . 0.0 111.061 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.61 ' HB2' HG13 ' A' ' 44' ' ' ILE . . . -108.16 170.02 8.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.05 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.53 152.31 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -55.79 -28.36 55.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.701 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.47 -30.82 42.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.248 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 22.0 mt-30 -74.03 -15.45 61.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.112 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.631 HD22 ' SG ' ' A' ' 107' ' ' CYS . 79.8 mt -51.94 92.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.068 0.461 . . . . 0.0 111.201 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.411 ' HG3' ' HB2' ' A' ' 43' ' ' TYR . 5.1 mmtt -112.23 74.06 0.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.692 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.8 p -91.28 120.95 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.529 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 24.6 m-70 -120.66 -20.2 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.588 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 53.12 -110.57 1.36 Allowed Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.598 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 126' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.769 0.319 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -30.23 41.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.73 -126.26 1.8 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m -156.04 77.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.332 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.89 144.56 57.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -112.43 78.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -63.74 152.43 39.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.35 127.15 32.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -94.5 -177.9 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 60.9 76.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.62 -46.92 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -141.55 94.99 7.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -51.13 -27.09 21.1 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.499 2.132 . . . . 0.0 112.293 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.504 ' CE ' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -67.75 -29.68 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.9 p -60.92 -53.96 50.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.015 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.99 88.08 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.307 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.504 HD11 ' CE ' ' A' ' 14' ' ' MET . 28.0 mt -100.15 80.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.001 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -131.68 156.23 46.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -126.37 52.65 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.2 mm? 62.06 -80.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.19 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -155.3 158.56 38.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.27 -41.63 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -55.27 129.96 40.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.098 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.36 131.7 0.39 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.787 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.67 -28.92 58.9 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.371 2.047 . . . . 0.0 112.249 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -114.99 43.28 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -170.03 42.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.8 114.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -141.95 42.88 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -167.76 145.0 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.12 86.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.481 ' HA2' HD23 ' A' ' 35' ' ' LEU . . . -144.82 63.71 0.47 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.89 84.41 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 62.23 62.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.481 HD23 ' HA2' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -62.88 122.32 15.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.57 150.65 93.45 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.85 -28.72 19.65 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.576 2.184 . . . . 0.0 112.289 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.18 84.73 1.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.26 -57.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.447 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -97.47 -27.8 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.666 0.269 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 2.3 mm-40 61.01 15.71 6.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.522 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 46.51 62.94 2.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.925 0.393 . . . . 0.0 111.247 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 15.7 m-85 -65.33 175.88 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.0 mm -113.13 96.77 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.077 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.34 139.89 56.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.809 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.84 HD13 HG22 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -141.63 107.69 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.544 179.411 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' CG ' ' HB2' ' A' ' 124' ' ' HIS . 50.3 mtp180 -120.76 154.49 35.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.307 -178.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.717 HG23 HG22 ' A' ' 56' ' ' THR . 14.6 mt -109.28 156.63 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.442 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.438 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 7.7 pt20 -138.32 88.46 2.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.506 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.591 ' HG3' HG23 ' A' ' 56' ' ' THR . 2.5 tt0 -91.43 108.08 19.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.384 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -81.58 120.36 24.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.382 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 66.55 22.07 10.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.753 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.79 25.45 75.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.993 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -142.77 -66.07 0.39 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.843 0.322 . . . . 0.0 111.469 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -59.22 82.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.76 HG21 ' CG ' ' A' ' 101' ' ' ASP . 0.2 OUTLIER -87.68 138.96 31.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.191 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.683 HD23 ' CD ' ' A' ' 97' ' ' GLN . 1.1 mp -141.65 86.59 2.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.8 m -62.26 113.98 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.49 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -99.0 166.62 11.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.784 179.444 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.84 HG22 HD13 ' A' ' 46' ' ' ILE . 47.3 t -135.36 129.81 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.405 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -125.85 141.34 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.29 179.408 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.12 -24.01 13.29 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.952 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.932 HG23 ' CE2' ' A' ' 67' ' ' TYR . 2.9 mm -69.97 148.17 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 0.0 110.562 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.661 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -92.49 130.14 38.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.461 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -58.33 -21.95 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -61.51 -21.21 64.03 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.818 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.932 ' CE2' HG23 ' A' ' 63' ' ' ILE . 7.1 m-30 -52.05 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.731 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -51.55 -26.54 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.093 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 0.5 OUTLIER 61.29 -81.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.621 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.8 OUTLIER -56.86 -50.88 71.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 179.498 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.463 ' HD2' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -75.53 -22.05 57.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.802 179.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.924 HD21 HD21 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -54.07 -60.51 3.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.561 HG21 ' C ' ' A' ' 84' ' ' GLY . 12.0 p -85.57 -36.66 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.434 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -44.0 69.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 0.0 110.601 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.463 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . . . -61.71 -30.58 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.465 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.633 ' CZ ' HD13 ' A' ' 98' ' ' LEU . 8.9 t80 -61.96 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.635 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 21.0 mtmt -71.56 -8.97 57.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.248 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -101.54 -19.58 15.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.321 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -99.28 -46.75 5.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.242 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 1.1 m-85 -109.82 -12.84 14.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.553 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 61.56 46.46 7.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.01 0.433 . . . . 0.0 110.66 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 55.9 m -116.02 135.53 53.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.57 95.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.561 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -103.93 137.2 13.4 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.523 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.1 p -132.0 159.26 39.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.961 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 86' ' ' VAL . 8.3 p -115.06 83.14 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.4 pt -91.53 156.76 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 111.621 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -110.16 73.96 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.019 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -50.98 132.08 29.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.296 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.47 -15.06 19.93 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.445 2.097 . . . . 0.0 112.153 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.1 OUTLIER -84.69 -23.56 29.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -125.26 -53.15 1.61 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.002 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.75 -102.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.1 87.7 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.811 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 61' ' ' GLN . 26.8 m -117.62 135.81 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.314 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.2 mm -74.84 150.92 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.983 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.683 ' CD ' HD23 ' A' ' 57' ' ' LEU . 1.4 tt0 -124.03 107.24 11.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.926 0.393 . . . . 0.0 111.278 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.857 HD11 HD13 ' A' ' 106' ' ' ILE . 82.0 mt -94.18 158.16 15.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.056 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.95 132.45 41.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.63 174.59 50.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.248 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.76 ' CG ' HG21 ' A' ' 56' ' ' THR . 0.5 OUTLIER -78.57 76.07 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.995 0.426 . . . . 0.0 110.624 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -88.38 9.03 24.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -28.93 1.21 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.871 0.367 . . . . 0.0 111.166 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -23.37 16.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 108' ' ' GLN . 26.6 m-80 -86.74 -35.31 19.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.734 0.302 . . . . 0.0 111.215 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.857 HD13 HD11 ' A' ' 98' ' ' LEU . 8.0 tp -65.68 -47.72 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.771 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.485 ' N ' HG23 ' A' ' 106' ' ' ILE . 7.4 m -55.81 -31.87 63.04 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 105' ' ' ASN . 8.0 mm100 -69.0 -44.24 73.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.769 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.873 ' CE2' HD13 ' A' ' 113' ' ' ILE . 60.4 t80 -61.1 -55.96 26.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.25 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.8 mp -52.63 -29.23 25.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.038 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 107' ' ' CYS . 91.6 t -93.19 -26.92 4.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.207 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.97 -44.25 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.981 HD11 HD22 ' A' ' 115' ' ' LEU . 11.4 pt -87.59 -11.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.67 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.18 36.11 28.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.775 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.981 HD22 HD11 ' A' ' 113' ' ' ILE . 5.3 tp -84.19 -73.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.708 0.29 . . . . 0.0 111.14 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.717 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -83.83 -162.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.495 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 147.84 47.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.683 0.278 . . . . 0.0 110.449 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -58.92 -32.13 69.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.988 0.423 . . . . 0.0 110.393 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -80.4 -27.82 38.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.112 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.45 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 32.8 mt-30 -80.86 -7.75 59.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.163 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.45 HD22 ' SG ' ' A' ' 107' ' ' CYS . 62.6 mt -54.37 87.57 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.909 0.385 . . . . 0.0 110.988 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 120' ' ' GLN . 7.2 mmtt -106.33 76.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.98 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 123' ' ' VAL . 12.1 p -88.47 117.43 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 47' ' ' ARG . 67.1 m-70 -116.19 80.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -54.2 118.53 9.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.27 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.238 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mtm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.898 0.38 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -148.36 31.98 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.85 -12.33 43.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.726 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -56.91 -22.46 37.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.622 0.248 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -51.64 -28.59 14.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.762 0.315 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -126.57 69.66 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -100.4 92.93 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.767 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 62.27 73.56 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.3 m80 61.6 -178.54 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -121.08 162.04 20.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.23 115.71 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 80.28 67.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.79 -26.74 31.64 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.628 2.219 . . . . 0.0 112.445 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.669 ' HA ' HD11 ' A' ' 17' ' ' ILE . 41.6 mtt -77.01 -10.53 59.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.422 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 t -97.76 27.27 4.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.736 0.303 . . . . 0.0 111.074 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.01 66.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.946 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 14' ' ' MET . 50.2 mt -110.48 124.03 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -132.51 30.81 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.743 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -121.42 39.66 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 20' ' ' LEU . 9.6 mt -135.63 29.8 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -134.76 162.16 33.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 m -65.04 148.11 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -162.35 69.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.01 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -156.03 66.52 4.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.58 -24.23 70.04 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.617 2.211 . . . . 0.0 112.128 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -90.32 -32.14 16.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.77 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.67 95.72 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.1 t0 62.75 85.53 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.92 50.02 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.0 m -59.37 173.85 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -130.08 37.0 3.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.74 132.18 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -134.97 -57.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.62 30.8 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 35' ' ' LEU . 6.1 tp -91.02 85.55 5.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 146.57 93.15 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.01 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.571 2.181 . . . . 0.0 112.439 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.73 92.54 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.015 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.638 ' O ' HG23 ' A' ' 40' ' ' THR . . . -118.38 51.08 0.77 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.621 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 39' ' ' GLY . 4.9 p -163.84 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 110.987 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.72 13.79 7.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.517 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.98 59.13 4.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.006 0.431 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 40' ' ' THR . 21.6 m-30 -62.27 163.74 7.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.163 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 63' ' ' ILE . 43.4 mm -114.74 99.89 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.372 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -72.05 124.41 24.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.126 -178.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.794 HD12 HG21 ' A' ' 106' ' ' ILE . 22.3 mm -86.0 -97.24 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.869 178.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 87.96 137.58 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.399 0.619 . . . . 0.0 112.462 178.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.786 HG23 HG22 ' A' ' 56' ' ' THR . 5.7 mt -117.34 155.25 19.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.285 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 3.6 pt20 -140.55 98.11 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.067 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -97.05 105.42 17.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.611 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -59.49 -80.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.556 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -91.85 47.48 1.36 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.256 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.71 26.09 23.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.369 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.16 -39.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.677 0.275 . . . . 0.0 110.972 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 62.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.049 0.452 . . . . 0.0 110.331 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.786 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -69.4 139.71 54.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.827 -179.662 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.476 HD22 HE21 ' A' ' 97' ' ' GLN . 5.4 mt -142.99 91.5 2.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 64.9 m -64.51 140.9 58.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.001 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -119.76 157.48 28.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.017 0.437 . . . . 0.0 111.166 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.581 HG22 HG12 ' A' ' 106' ' ' ILE . 49.0 t -128.92 113.77 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.167 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.531 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -115.94 144.27 44.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.549 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.93 -26.43 12.54 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.046 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.794 HG23 ' CE2' ' A' ' 67' ' ' TYR . 5.2 mm -64.18 147.94 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.606 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -87.45 132.22 34.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.523 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.89 -20.71 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.589 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -24.43 67.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.759 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.947 ' HB3' HD21 ' A' ' 72' ' ' LEU . 5.9 m-30 -52.34 -178.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.976 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.418 ' C ' HD22 ' A' ' 72' ' ' LEU . 76.8 m-20 -91.84 88.68 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.429 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -43.89 -34.41 1.63 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.348 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -79.72 -42.62 24.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -77.9 6.01 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.698 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.947 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -110.48 -65.09 1.19 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.702 0.286 . . . . 0.0 111.01 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 74' ' ' LYS . 3.3 p -79.33 -44.28 23.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.8 ttpt -64.63 -44.83 89.25 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.423 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -61.04 -42.8 99.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.684 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.63 ' CD2' HD22 ' A' ' 98' ' ' LEU . 18.6 t80 -49.12 -40.77 33.63 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.559 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 3.8 mtmt -71.51 -10.04 59.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.539 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -102.89 -19.03 14.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.681 0.277 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.48 -36.86 11.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.426 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.544 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 4.2 m-85 -118.56 -18.63 9.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.9 34.25 0.7 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.842 0.354 . . . . 0.0 110.999 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.64 178.16 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.801 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.86 128.04 54.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -125.43 144.88 15.42 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.859 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -125.52 160.83 28.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.32 . . . . 0.0 110.944 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 86' ' ' VAL . 9.5 p -116.54 71.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.469 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.4 pt -83.12 148.37 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.548 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -103.96 76.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.974 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -51.85 130.17 38.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.276 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.41 -15.15 22.45 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.4 2.066 . . . . 0.0 112.27 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 1.6 tm-20 -83.92 -24.62 30.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.45 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.4 m-85 -125.8 -52.16 1.57 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.363 . . . . 0.0 111.052 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.51 -111.29 0.63 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.245 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -105.63 92.73 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 61' ' ' GLN . 35.6 m -121.28 137.97 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.48 ' O ' HG22 ' A' ' 59' ' ' THR . 1.0 OUTLIER -74.65 157.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.579 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.476 HE21 HD22 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -131.39 97.9 4.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.756 0.312 . . . . 0.0 111.201 -179.357 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.052 HD11 HD13 ' A' ' 106' ' ' ILE . 9.7 mt -85.05 156.45 21.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.237 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.95 143.92 26.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.212 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.43 175.02 36.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.714 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 4.5 p-10 -76.2 79.39 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.687 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.474 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -93.56 12.65 24.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.166 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -27.46 8.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 0.0 110.73 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.33 -22.3 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.913 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -83.71 -34.22 24.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 1.052 HD13 HD11 ' A' ' 98' ' ' LEU . 9.7 tp -67.13 -49.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.656 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.794 ' SG ' HD22 ' A' ' 121' ' ' LEU . 7.1 t -50.77 -33.27 22.62 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -43.53 64.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.934 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.818 ' CE2' HD13 ' A' ' 113' ' ' ILE . 35.7 t80 -62.26 -49.39 75.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.813 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.2 mp -56.82 -29.56 62.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 107' ' ' CYS . 59.7 t -94.84 -25.1 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.189 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.72 -40.73 47.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.956 HD11 HD22 ' A' ' 115' ' ' LEU . 6.6 pt -96.65 -1.32 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.535 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.78 33.04 66.52 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.901 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.956 HD22 HD11 ' A' ' 113' ' ' ILE . 6.7 tp -74.81 -72.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.944 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -89.85 -165.57 1.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.526 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.416 ' HB2' ' HG3' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -125.14 147.06 49.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.309 179.395 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.428 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 3.4 p30 -53.76 -29.44 39.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 111.046 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.47 -23.08 40.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.416 ' HG3' ' HB2' ' A' ' 117' ' ' LYS . 16.6 mt-30 -90.3 -8.86 49.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.437 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.794 HD22 ' SG ' ' A' ' 107' ' ' CYS . 88.6 mt -52.76 93.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.042 0.449 . . . . 0.0 110.832 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.405 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 9.7 mmtt -114.7 84.06 2.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.976 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.499 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 13.3 p -96.41 123.71 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.304 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.528 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 14.4 m-70 -129.03 80.98 2.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.466 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.02 121.66 25.36 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.035 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.302 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.894 0.378 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.2 ttt85 -121.3 46.32 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.18 -141.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.9 p -169.85 38.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -113.27 -33.98 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -104.62 112.25 25.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -67.23 79.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -152.9 33.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -80.15 101.5 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -70.85 143.89 50.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -63.74 -45.29 90.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -136.75 81.56 34.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.72 -25.93 23.62 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.577 2.185 . . . . 0.0 112.381 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.7 mtm -58.07 -22.13 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.5 t -54.66 -29.79 53.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.072 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.81 84.82 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 17' ' ' ILE . 32.0 mt -90.74 59.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -98.53 149.68 22.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -165.5 39.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.31 -49.18 78.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.99 121.68 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.15 47.15 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 35.7 t80 63.17 139.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -63.96 111.28 5.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -57.87 -27.39 78.36 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.51 2.14 . . . . 0.0 112.247 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -110.9 -62.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.44 45.01 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -137.64 105.32 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 61.27 31.99 19.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.62 -35.31 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -116.69 -47.34 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.0 98.8 1.2 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.536 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -100.59 38.92 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 t0 62.64 82.66 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 mt -105.32 98.32 8.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.32 132.15 92.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.1 123.03 8.54 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.457 2.105 . . . . 0.0 112.275 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -161.29 108.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.273 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.15 74.52 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.403 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.424 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 62.2 p -110.4 -20.66 12.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.707 0.289 . . . . 0.0 111.288 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER 66.22 13.79 9.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.408 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 54.53 62.48 2.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.054 0.454 . . . . 0.0 110.951 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 41' ' ' GLU . 21.9 m-30 -69.92 163.22 26.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.507 HD13 ' HA3' ' A' ' 62' ' ' GLY . 43.7 mm -111.56 103.01 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.33 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -79.83 115.7 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.361 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.744 HD12 ' CG2' ' A' ' 106' ' ' ILE . 26.0 mm -73.17 -94.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.335 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 86.46 126.76 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 112.262 178.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.618 HG23 HG22 ' A' ' 56' ' ' THR . 5.9 mt -108.39 158.59 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.067 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.458 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 8.3 pt20 -142.36 102.16 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.936 0.398 . . . . 0.0 110.611 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.546 ' HG3' HG23 ' A' ' 56' ' ' THR . 1.4 tt0 -104.02 123.07 46.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.453 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -87.58 117.33 26.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.256 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t30 64.2 21.19 12.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.58 39.5 60.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.972 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 31.0 mtp85 -152.33 -65.5 0.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.83 0.315 . . . . 0.0 111.512 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 14.2 mmtt -63.51 76.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 0.0 110.837 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.79 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -78.87 142.26 36.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.224 -179.649 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 56' ' ' THR . 1.5 mp -146.73 97.62 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.1 m -72.49 125.35 27.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -106.35 159.03 16.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.988 0.423 . . . . 0.0 111.259 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.548 HG22 HG12 ' A' ' 106' ' ' ILE . 92.6 t -125.63 122.27 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.874 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.653 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -120.93 139.66 52.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.01 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.507 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 111.23 -26.25 12.52 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.35 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.826 HG23 ' CE2' ' A' ' 67' ' ' TYR . 5.7 mm -66.42 146.11 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 111.058 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.583 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -88.54 133.31 34.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.566 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.64 -20.4 60.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.612 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.28 -22.72 67.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.936 ' HB3' HD21 ' A' ' 72' ' ' LEU . 6.3 m-30 -52.8 -177.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.477 ' C ' HD22 ' A' ' 72' ' ' LEU . 5.3 m-20 -89.73 89.53 7.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -43.95 -32.11 1.05 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.444 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 11.6 mtmm -78.12 -53.48 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -66.59 -3.01 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.946 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.936 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -102.46 -75.76 0.59 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.717 0.294 . . . . 0.0 111.451 -179.695 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.42 ' CG2' ' HA3' ' A' ' 84' ' ' GLY . 2.6 p -75.63 -42.88 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.129 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -62.5 -45.34 93.46 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.079 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.82 92.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.016 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.496 ' CD1' HD22 ' A' ' 98' ' ' LEU . 15.5 t80 -46.57 -48.43 19.58 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.041 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.1 mtpp -64.52 -15.04 60.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.665 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.07 -19.73 17.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.775 0.321 . . . . 0.0 111.322 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 2.4 tttp -97.94 -34.13 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.617 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.487 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 19.1 m-85 -115.84 -17.15 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 71.44 31.39 2.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.94 0.4 . . . . 0.0 110.621 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 57.3 m -105.59 178.67 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.0 117.53 34.45 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -114.97 133.47 11.03 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.861 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.9 p -121.43 169.7 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 86' ' ' VAL . 10.0 p -118.88 78.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.22 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pt -84.61 153.16 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.472 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -106.48 71.88 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.066 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.485 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -47.52 140.17 7.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.463 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.22 -22.57 9.64 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.54 2.16 . . . . 0.0 111.982 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -79.33 -23.85 43.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.987 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.462 ' CD2' HG11 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -117.45 -49.21 2.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 112.95 -18.61 21.63 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.705 -0.76 . . . . 0.0 113.012 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -176.49 110.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.784 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 61' ' ' GLN . 16.5 m -154.78 147.3 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.362 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 59' ' ' THR . 0.4 OUTLIER -77.66 155.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.546 ' CD ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -129.34 96.17 4.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.715 0.293 . . . . 0.0 111.497 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.022 HD11 HD13 ' A' ' 106' ' ' ILE . 7.1 mt -82.27 157.84 23.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.156 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.57 143.0 26.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.774 0.321 . . . . 0.0 111.022 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.62 172.99 39.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.354 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -77.31 79.12 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.42 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -89.1 11.31 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.777 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.478 ' NH1' HG22 ' A' ' 123' ' ' VAL . 4.5 ttt-85 -45.73 -30.72 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -100.16 -22.13 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.206 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -85.33 -36.27 20.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.354 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 1.022 HD13 HD11 ' A' ' 98' ' ' LEU . 8.9 tp -65.27 -49.41 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.253 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.541 ' O ' HG23 ' A' ' 111' ' ' VAL . 28.8 p -53.57 -32.36 50.59 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.408 0.623 . . . . 0.0 109.411 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -44.12 68.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.881 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.741 ' CE2' HD13 ' A' ' 113' ' ' ILE . 40.7 t80 -61.43 -47.96 83.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.747 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.4 mp -58.24 -28.91 65.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 107' ' ' CYS . 50.8 t -95.32 -24.99 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.29 -39.86 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.111 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.997 HD11 HD22 ' A' ' 115' ' ' LEU . 5.8 pt -96.67 -1.21 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.5 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.41 31.27 63.51 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.939 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.997 HD22 HD11 ' A' ' 113' ' ' ILE . 5.8 tp -76.02 -71.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -93.85 166.56 12.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.455 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 150.38 22.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.4 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.5 p-10 -55.31 -28.35 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.77 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.68 -21.04 45.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.36 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 122' ' ' LYS . 11.8 mt-30 -94.05 -3.66 50.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 107' ' ' CYS . 24.9 mt -58.25 78.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.925 0.393 . . . . 0.0 111.314 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.1 mmtt -101.5 73.07 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.938 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.478 HG22 ' NH1' ' A' ' 103' ' ' ARG . 6.4 p -89.51 128.32 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.817 -178.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 11.3 m-70 -137.82 139.85 40.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.95 129.45 8.93 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.165 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.545 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.815 0.341 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 59.72 31.06 20.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.32 -49.73 7.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.0 p -174.07 122.15 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.98 31.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -173.03 73.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.62 -38.42 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -177.18 74.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.07 94.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -158.23 59.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.0 p -59.54 104.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -93.42 131.97 31.41 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.34 -30.36 62.44 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.432 2.088 . . . . 0.0 112.233 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.2 mmt -59.44 -27.52 66.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.8 t -55.26 -35.46 65.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.033 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.36 92.25 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.8 mt -102.68 83.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -63.22 166.99 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -131.0 91.27 3.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp 61.77 157.39 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 63.98 42.57 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 p -95.79 -33.62 12.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.75 112.46 23.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.46 65.42 2.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.79 -34.91 81.64 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.588 2.192 . . . . 0.0 112.308 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -117.5 -56.93 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -178.03 130.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -105.89 115.14 29.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.54 -175.51 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -120.36 -69.76 0.83 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.51 114.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.61 -178.31 27.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.535 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -145.01 67.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.5 83.49 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.76 96.18 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -68.3 145.41 97.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.92 157.75 54.17 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.497 2.132 . . . . 0.0 112.351 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.57 145.49 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.36 -140.68 6.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.424 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -117.0 -28.82 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.644 0.259 . . . . 0.0 111.251 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 5.7 mt-10 65.3 15.03 9.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.289 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.83 63.02 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.967 0.413 . . . . 0.0 110.854 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' ' 41' ' ' GLU . 21.9 m-30 -73.26 161.22 30.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.017 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.45 HD12 HD13 ' A' ' 63' ' ' ILE . 30.2 mm -113.31 93.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.181 0.515 . . . . 0.0 110.274 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -66.33 116.28 7.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.425 -178.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.68 HD12 ' CG2' ' A' ' 106' ' ' ILE . 26.9 mm -79.51 -96.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.862 178.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER 89.15 134.89 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.41 0.624 . . . . 0.0 112.371 178.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.853 HG23 HG22 ' A' ' 56' ' ' THR . 3.4 mt -116.77 154.44 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.876 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.9 pt20 -143.49 99.27 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 111.152 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.4 tt0 -100.19 99.14 9.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.743 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -54.61 44.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.452 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.1 -151.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.747 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.43 34.29 4.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.302 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' THR . 0.6 OUTLIER 177.07 -27.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 67.73 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.079 0.466 . . . . 0.0 110.686 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.853 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -86.49 151.15 23.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.044 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 98' ' ' LEU . 6.1 mt -145.92 81.28 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.6 m -60.09 137.66 58.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -121.19 156.81 31.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.018 0.437 . . . . 0.0 111.389 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.497 ' CG2' HG12 ' A' ' 106' ' ' ILE . 84.6 t -124.48 120.97 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.048 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.741 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -119.78 146.31 45.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.64 179.763 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.93 -23.52 30.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.252 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.882 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -72.76 146.2 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.436 . . . . 0.0 111.08 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.556 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -80.55 139.07 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.977 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -65.63 -14.05 60.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -95.66 30.43 2.32 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.722 0.296 . . . . 0.0 111.35 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.977 ' CB ' HD21 ' A' ' 72' ' ' LEU . 3.5 m-30 -89.28 24.79 2.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.364 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 4.6 t70 82.21 -16.9 0.57 Allowed 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 63.74 -76.35 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.68 0.276 . . . . 0.0 111.447 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 74' ' ' LYS . 7.0 pttm -50.34 -47.0 56.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 111.352 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -59.17 -12.67 5.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.6 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.977 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -98.68 -67.89 0.83 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.64 0.257 . . . . 0.0 111.385 -179.494 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 74' ' ' LYS . 4.4 p -78.75 -45.79 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.212 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 73' ' ' VAL . 1.8 ttmt -61.96 -43.74 98.21 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -65.68 -42.56 91.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.235 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.758 ' CD2' HD22 ' A' ' 98' ' ' LEU . 11.7 t80 -45.95 -52.06 12.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.813 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 14.3 mtmt -61.72 -22.31 65.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -17.79 49.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.857 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 35.4 tttp -104.43 -45.32 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.576 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 0.5 OUTLIER -115.17 -16.77 11.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.771 -179.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 67.01 38.5 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.652 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.93 136.18 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.51 109.46 1.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 98' ' ' LEU . . . -112.97 136.7 13.66 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.484 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.2 p -133.47 122.06 23.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.165 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 86' ' ' VAL . 8.0 p -77.32 95.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -96.39 150.73 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.298 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -100.83 71.22 1.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.094 0.473 . . . . 0.0 110.226 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.485 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -46.72 138.62 6.88 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.456 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -77.74 -20.47 11.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.53 2.154 . . . . 0.0 112.094 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -82.28 -23.97 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -116.64 -50.52 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.984 -179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 89' ' ' HIS . . . 115.2 -19.48 15.0 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.711 -0.756 . . . . 0.0 113.239 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.36 107.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.815 0.307 . . . . 0.0 111.029 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 61' ' ' GLN . 12.6 m -152.54 145.4 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -77.09 157.6 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.162 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.422 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -134.08 97.69 3.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 0.0 111.279 -179.351 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.904 HD11 HD13 ' A' ' 106' ' ' ILE . 17.3 mt -85.18 157.85 20.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.188 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -95.15 135.1 37.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.19 165.79 34.95 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.24 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 5.3 p-10 -66.09 96.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.419 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -109.76 4.92 22.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.065 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.433 ' HB2' HG23 ' A' ' 123' ' ' VAL . 1.3 ptm180 -47.77 -27.62 2.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.785 0.326 . . . . 0.0 111.226 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -94.29 -26.41 16.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -86.83 -41.16 14.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.904 HD13 HD11 ' A' ' 98' ' ' LEU . 8.1 tp -60.16 -49.9 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.526 ' N ' HG23 ' A' ' 106' ' ' ILE . 82.6 m -57.67 -34.04 68.97 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.31 -32.4 66.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.512 178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.874 ' CE2' HD13 ' A' ' 113' ' ' ILE . 79.0 t80 -74.42 -45.22 47.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.458 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.722 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.1 mp -57.89 -29.33 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.837 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 107' ' ' CYS . 55.6 t -92.65 -28.65 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.84 -43.19 65.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.946 HD11 HD22 ' A' ' 115' ' ' LEU . 9.4 pt -87.56 -24.9 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.329 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.2 30.07 8.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.789 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 113' ' ' ILE . 3.8 tp -79.1 -71.82 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.722 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -92.44 -164.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.709 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.42 153.71 40.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.66 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.581 ' HA ' HD12 ' A' ' 121' ' ' LEU . 12.5 t0 -55.62 -24.26 32.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.709 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.421 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 53.9 m-20 -77.28 -21.5 53.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 109.824 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 10.3 mt-30 -106.68 -11.03 15.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.132 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 118' ' ' ASP . 14.4 mt -51.02 93.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 3.1 mmtt -112.34 80.23 1.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.2 p -92.13 113.75 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 33.9 m-70 -114.31 -26.19 8.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.41 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 51.71 -108.73 0.66 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.428 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.971 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ttm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.894 0.378 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -124.64 29.62 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -160.85 27.31 0.3 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.0 m 58.76 77.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.2 m170 63.42 -79.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -156.02 130.8 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.814 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -145.27 101.36 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -143.54 -69.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -163.67 52.61 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -140.76 98.78 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.7 p -68.14 122.6 18.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -102.75 97.4 9.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.066 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.79 -0.65 8.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 112.291 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.554 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER 55.2 38.11 29.92 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -178.676 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 52.87 29.08 7.21 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.18 15.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.973 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.554 HD12 ' O ' ' A' ' 14' ' ' MET . 10.3 mt -72.5 116.4 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.825 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -117.9 -167.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -101.23 34.81 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.025 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 23' ' ' PHE . 2.8 mm? -120.76 -85.25 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.823 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.46 100.23 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.801 0.334 . . . . 0.0 111.217 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m 75.75 -58.59 0.55 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.6 ' O ' HD12 ' A' ' 20' ' ' LEU . 26.8 t80 -45.69 133.99 7.71 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.282 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 47.2 m-20 -93.77 124.42 56.79 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 31.2 Cg_exo -58.18 -41.85 62.95 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.35 2.034 . . . . 0.0 112.242 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -125.88 29.27 5.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.014 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.55 117.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -162.05 143.45 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 114.78 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.54 59.42 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -127.43 95.72 4.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.798 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.24 39.94 1.62 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.621 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 t0 59.2 55.61 4.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -145.25 37.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 35' ' ' LEU . 13.0 tp -110.58 67.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.79 150.07 38.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.03 149.33 27.34 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.58 2.187 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.28 82.6 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.49 48.59 0.31 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.423 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -104.87 -28.81 10.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 2.7 mt-10 65.8 9.69 6.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.65 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 55.0 61.54 2.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 40' ' ' THR . 19.9 m-30 -56.41 162.72 2.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.255 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.443 HD13 ' HA3' ' A' ' 62' ' ' GLY . 44.2 mm -115.11 102.31 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.37 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.515 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -73.33 129.52 38.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.104 -179.001 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.799 HD12 HG21 ' A' ' 106' ' ' ILE . 23.5 mm -91.66 -98.01 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.947 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 2.8 ttt85 86.12 134.86 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.305 0.574 . . . . 0.0 112.423 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.582 ' CG2' HG22 ' A' ' 56' ' ' THR . 17.0 mt -114.9 155.58 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.425 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' HG3' ' HB2' ' A' ' 57' ' ' LEU . 2.6 pt20 -138.67 94.23 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.489 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.458 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 2.1 tt0 -93.59 116.88 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.245 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -95.55 125.14 39.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.405 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 66.39 21.82 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.22 44.02 96.2 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.719 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -167.74 -45.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.0 111.323 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -70.37 65.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 110.674 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.582 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -73.98 135.41 43.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.079 -179.744 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.901 HD23 ' O ' ' A' ' 98' ' ' LEU . 1.2 mt -142.63 110.33 5.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.61 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -89.83 118.61 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 110.97 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -101.1 161.68 13.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.951 0.405 . . . . 0.0 111.296 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.581 HG12 HG12 ' A' ' 63' ' ' ILE . 45.7 t -129.48 117.58 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -116.31 142.91 46.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.392 179.662 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 113.07 -29.84 7.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.0 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.809 HG23 ' CE2' ' A' ' 67' ' ' TYR . 8.5 mm -57.84 144.67 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.936 0.398 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.611 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -80.62 137.53 36.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.574 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -17.15 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.795 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.52 -26.45 64.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.947 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.809 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.2 m-30 -47.67 166.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -82.01 70.41 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.144 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.709 ' HD2' HG21 ' A' ' 86' ' ' VAL . 32.3 ttpt -35.75 -46.23 0.43 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.865 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 7.3 mmtp -55.92 -54.82 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -4.19 57.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.408 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.731 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.8 tt -71.87 -64.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.784 0.326 . . . . 0.0 110.714 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.523 HG21 ' C ' ' A' ' 84' ' ' GLY . 7.6 p -82.79 -35.94 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.557 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 4.8 tptt -52.85 -43.61 66.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.634 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.22 -31.72 73.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.768 ' CD2' HD22 ' A' ' 98' ' ' LEU . 8.9 t80 -59.78 -42.73 94.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -8.73 56.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.253 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -103.79 -19.56 14.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 111.056 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -97.0 -42.89 7.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.336 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.7 m-85 -111.74 -15.69 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.608 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 68.13 37.59 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.815 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.8 m -108.66 169.16 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -92.01 110.47 21.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.772 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.523 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -116.65 139.89 15.55 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.747 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.0 p -135.34 168.71 18.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.709 HG21 ' HD2' ' A' ' 69' ' ' LYS . 14.4 p -117.9 118.06 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.441 HD11 ' HG3' ' A' ' 97' ' ' GLN . 17.5 pt -124.56 148.22 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.304 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -102.84 74.25 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.6 t-80 -59.79 138.07 90.21 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.012 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.64 -20.03 9.58 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.6 2.2 . . . . 0.0 112.277 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -79.73 -23.71 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -124.22 -50.39 1.79 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.962 -179.677 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.84 106.65 2.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.685 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 55.17 83.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.768 0.318 . . . . 0.0 111.213 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 61' ' ' GLN . 30.5 m -131.77 131.51 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.657 ' O ' HG22 ' A' ' 59' ' ' THR . 0.8 OUTLIER -70.29 157.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.078 179.587 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.728 ' NE2' HD13 ' A' ' 57' ' ' LEU . 1.1 tt0 -132.79 105.88 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.367 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.086 HD11 HD13 ' A' ' 106' ' ' ILE . 9.1 mt -92.02 156.99 17.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.159 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.29 141.86 29.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.79 0.328 . . . . 0.0 110.802 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.03 175.44 48.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.101 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.451 ' HA ' HD13 ' A' ' 48' ' ' ILE . 4.6 p-10 -77.94 87.32 4.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.983 0.42 . . . . 0.0 110.756 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.473 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -102.21 13.11 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.057 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.407 ' O ' HG21 ' A' ' 123' ' ' VAL . 9.8 ptt85 -52.01 -25.34 8.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.846 0.355 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.57 -20.62 13.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -88.04 -34.49 17.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 1.086 HD13 HD11 ' A' ' 98' ' ' LEU . 8.1 tp -64.82 -50.04 77.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.351 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.697 ' HB2' HD22 ' A' ' 121' ' ' LEU . 5.1 p -53.49 -33.28 53.73 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.44 0.638 . . . . 0.0 109.413 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -47.27 65.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.986 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.867 ' CE2' HD13 ' A' ' 113' ' ' ILE . 61.8 t80 -59.18 -51.01 71.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.192 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.2 mp -55.56 -29.34 58.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 107' ' ' CYS . 60.0 t -94.23 -24.89 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.274 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.55 -42.08 30.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.115 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.916 HD11 HD22 ' A' ' 115' ' ' LEU . 12.2 pt -88.75 -22.01 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.328 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.27 35.57 6.24 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.726 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.916 HD22 HD11 ' A' ' 113' ' ' ILE . 4.6 tp -84.48 -71.3 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.805 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.702 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -90.42 -164.44 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 152.62 46.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 8.9 p-10 -59.47 -28.9 67.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.651 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.23 -28.28 34.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.365 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 14.9 mt-30 -83.59 -6.37 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.23 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.697 HD22 ' HB2' ' A' ' 107' ' ' CYS . 56.4 mt -52.88 92.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.038 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.408 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -115.55 83.76 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.5 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 14.9 p -97.08 125.44 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.303 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.515 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 14.0 m-70 -128.35 77.57 1.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.309 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.04 120.96 25.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.39 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.423 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.865 0.365 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -121.63 100.56 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.24 -157.02 2.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.603 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.8 m -75.11 -64.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.6 t60 63.4 123.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -173.34 105.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.998 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -157.01 26.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -88.22 107.15 18.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -126.66 -50.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -95.81 -36.43 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 m -110.86 119.87 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.23 149.7 66.73 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.07 -32.98 71.7 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.625 2.217 . . . . 0.0 112.243 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -78.48 -30.44 47.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -58.49 -36.21 73.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.46 90.84 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.8 mt -102.4 113.24 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -147.99 59.82 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -95.33 -15.77 22.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 20' ' ' LEU . 14.6 mt -51.36 -47.65 62.72 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 0.0 111.229 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -77.46 132.55 38.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -176.91 80.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -71.69 130.0 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -59.6 153.23 52.32 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.04 -26.81 33.74 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.525 2.15 . . . . 0.0 112.256 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.65 32.38 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.68 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.56 68.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.87 -43.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.06 112.57 0.54 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.41 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.42 -168.88 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -71.57 -67.98 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.48 62.42 1.43 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -150.9 43.13 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.65 72.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.26 78.15 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 mt 62.9 122.67 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.93 88.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.482 2.121 . . . . 0.0 112.263 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 63.17 128.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.725 ' O ' HG23 ' A' ' 40' ' ' THR . . . -85.89 -116.21 0.89 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 39' ' ' GLY . 0.7 OUTLIER -171.72 -37.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.762 0.315 . . . . 0.0 111.125 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.9 OUTLIER 67.49 11.4 8.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.508 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.87 60.13 4.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.008 0.432 . . . . 0.0 110.991 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 40' ' ' THR . 22.0 m-30 -60.81 161.09 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.137 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 61' ' ' GLN . 38.6 mm -111.11 92.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.137 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.551 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -67.2 113.95 5.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.363 -178.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.544 HD12 ' CG2' ' A' ' 106' ' ' ILE . 28.1 mm -77.64 -96.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.999 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 4.9 ttt180 86.15 135.16 0.05 OUTLIER 'General case' 0 C--N 1.344 0.329 0 CA-C-O 121.189 0.519 . . . . 0.0 112.162 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.803 HG23 HG22 ' A' ' 56' ' ' THR . 6.1 mt -113.75 154.36 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.011 179.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.0 OUTLIER -137.9 103.23 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 111.207 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.5 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -105.29 101.34 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.506 179.702 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.16 -80.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.614 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -92.6 44.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.868 0.366 . . . . 0.0 111.196 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.29 24.64 52.36 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.291 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 13.2 ptm180 -150.59 -46.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 1.7 tppt? -70.93 66.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.03 0.443 . . . . 0.0 110.483 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.803 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -73.2 139.58 46.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.047 -179.624 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 56' ' ' THR . 2.1 mp -142.45 97.78 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.739 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.557 HG23 HG13 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -72.48 117.97 14.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 -179.703 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -98.19 152.24 19.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.748 179.578 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 106' ' ' ILE . 67.5 t -121.13 117.91 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.958 0.409 . . . . 0.0 110.784 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -115.66 152.65 32.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.825 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.487 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 102.28 -30.25 10.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.939 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.82 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.7 mm -60.9 148.42 9.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.929 0.395 . . . . 0.0 111.022 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -88.25 133.25 34.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.429 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -58.28 -22.18 51.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.595 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.17 -27.39 67.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.82 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.3 m-30 -53.22 -177.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.687 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 71' ' ' LYS . 19.5 m-20 -95.77 80.52 3.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.976 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -38.45 -56.43 1.26 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.991 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -47.79 81.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.065 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . 2.1 ttpt -61.48 -38.54 87.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.517 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.729 ' HG ' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -56.93 -54.53 45.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.541 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.623 HG13 ' HA3' ' A' ' 84' ' ' GLY . 2.4 t -73.97 -44.75 50.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.237 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -55.89 -44.89 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.092 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.86 73.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.103 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.484 ' CZ ' ' CD2' ' A' ' 98' ' ' LEU . 19.4 t80 -49.2 -55.96 10.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.031 0.443 . . . . 0.0 110.785 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 16.1 mtmt -59.64 -18.93 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.446 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.73 -19.2 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.672 0.272 . . . . 0.0 111.514 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HD3' ' CE2' ' A' ' 80' ' ' PHE . 3.9 tmtm? -95.4 -36.7 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.55 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 2.8 m-85 -119.39 -13.88 9.23 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.16 27.53 1.53 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 73.4 m -89.95 -170.6 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.717 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.424 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.5 OUTLIER -115.73 113.35 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.84 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.623 ' HA3' HG13 ' A' ' 73' ' ' VAL . . . -104.76 139.56 14.66 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.409 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -150.05 122.48 8.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.534 HG23 HD12 ' A' ' 96' ' ' ILE . 11.5 p -78.71 144.87 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.287 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.401 HG12 ' HB2' ' A' ' 97' ' ' GLN . 1.2 pp -156.62 158.25 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -105.76 77.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.183 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.7 t-80 -55.97 131.84 73.74 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.396 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -77.41 -13.85 16.51 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.555 2.17 . . . . 0.0 112.148 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.53 -23.58 29.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 2.0 m-85 -128.15 -54.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.88 107.66 3.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.774 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.18 88.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.437 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 61' ' ' GLN . 18.8 m -146.04 148.61 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.534 HD12 HG23 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -84.6 130.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.088 0.47 . . . . 0.0 110.679 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.526 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -101.44 106.67 17.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.039 -178.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 76' ' ' PHE . 3.3 mp -89.78 165.61 14.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.589 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.424 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 5.9 tm0? -104.84 139.52 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.855 0.36 . . . . 0.0 111.01 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.19 -179.29 42.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.25 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.419 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 7.7 p-10 -79.35 88.78 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.4 . . . . 0.0 110.611 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.413 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -104.73 5.29 33.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.937 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.497 ' N ' HG21 ' A' ' 58' ' ' THR . 0.4 OUTLIER -47.83 -28.03 2.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 -179.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -93.48 -23.64 18.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -89.63 -34.43 16.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.69 0.281 . . . . 0.0 111.165 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 60' ' ' VAL . 9.4 tp -64.91 -51.44 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.995 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.699 ' HB2' HD22 ' A' ' 121' ' ' LEU . 4.6 p -54.97 -34.81 63.66 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -34.93 65.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.559 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.923 ' CE2' HD13 ' A' ' 113' ' ' ILE . 80.6 t80 -71.76 -47.67 52.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.648 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.9 mp -56.94 -29.51 63.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.752 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 107' ' ' CYS . 51.8 t -92.08 -28.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.43 -44.61 57.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.923 HD13 ' CE2' ' A' ' 109' ' ' PHE . 10.3 pt -86.01 -24.32 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.459 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.98 32.46 7.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.659 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.729 HD21 ' HG ' ' A' ' 72' ' ' LEU . 7.2 tp -79.82 -67.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.761 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -94.3 -165.38 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.52 145.16 51.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.506 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.3 p-10 -51.98 -27.58 13.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.026 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -80.5 -26.3 38.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.519 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.437 ' HB3' HG12 ' A' ' 44' ' ' ILE . 16.8 mt-30 -89.21 -4.29 58.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.699 HD22 ' HB2' ' A' ' 107' ' ' CYS . 42.5 mt -53.87 90.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.123 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 43' ' ' TYR . 2.8 mmtt -112.02 79.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.678 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.9 p -92.5 117.72 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.332 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.551 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 16.8 m-70 -123.81 81.34 1.9 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.441 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.02 121.28 25.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.055 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.325 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.778 0.323 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.53 -52.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.91 51.65 3.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.53 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.2 t -65.1 144.96 56.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -89.19 -34.57 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -162.71 179.96 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.38 110.86 21.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -67.99 -37.14 81.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -147.03 113.4 5.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.676 ' O ' HG23 ' A' ' 11' ' ' THR . 12.5 t-160 -118.32 132.17 56.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 10' ' ' HIS . 1.1 p -166.64 -71.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.612 ' CB ' ' HB3' ' A' ' 16' ' ' ALA . 29.5 p-10 -163.46 99.53 0.99 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.788 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.98 60.94 8.07 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.538 2.159 . . . . 0.0 112.668 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.677 ' HA ' HD11 ' A' ' 17' ' ' ILE . 0.1 OUTLIER 52.44 18.12 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.446 -179.676 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -136.3 14.86 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.637 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.612 ' HB3' ' CB ' ' A' ' 12' ' ' ASP . . . -134.8 21.99 3.57 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.343 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 14' ' ' MET . 1.1 mp -82.6 142.52 13.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.04 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -77.86 131.4 37.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -133.46 106.25 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -86.2 -40.72 15.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.7 177.84 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -111.37 85.02 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -90.87 129.94 36.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 59.89 78.01 0.35 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.2 -28.53 52.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.597 2.198 . . . . 0.0 112.344 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -104.83 -40.54 5.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.68 76.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -60.67 126.43 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.17 32.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -169.41 110.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.82 107.64 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.62 -149.1 6.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -142.66 -49.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.59 -68.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.69 -176.74 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.0 mm? -107.91 132.41 21.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.786 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.89 -67.35 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.388 2.058 . . . . 0.0 112.269 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.5 70.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.06 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.651 ' O ' HG23 ' A' ' 40' ' ' THR . . . -68.72 -113.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.547 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 39' ' ' GLY . 2.1 p -164.28 -41.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.697 0.284 . . . . 0.0 110.972 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 62.57 15.88 8.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.418 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.67 61.95 2.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.151 0.5 . . . . 0.0 111.017 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 40' ' ' THR . 17.1 m-85 -66.04 176.87 1.52 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.041 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.423 HG12 ' NE2' ' A' ' 120' ' ' GLN . 23.7 mm -117.36 101.5 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.14 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.502 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -68.9 128.99 38.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.733 -179.205 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.948 HD13 HG22 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -124.49 106.2 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.321 179.004 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.46 165.68 11.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.459 -178.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.822 HD11 ' HA ' ' A' ' 101' ' ' ASP . 2.1 tt -136.25 141.9 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.721 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 56' ' ' THR . 0.7 OUTLIER -129.12 91.42 3.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.748 0.309 . . . . 0.0 111.449 -179.578 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HB2' HG23 ' A' ' 56' ' ' THR . 14.1 tt0 -94.02 98.91 11.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.1 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.98 138.52 31.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.609 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.7 t30 61.79 22.42 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.995 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.17 42.06 99.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.491 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 12.4 ptm180 -175.01 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.715 0.293 . . . . 0.0 111.269 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -68.53 70.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.685 HG22 HG12 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -86.72 143.55 27.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.387 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.902 HD23 ' O ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -147.44 88.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.353 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.0 m -63.44 126.27 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.669 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -112.5 161.22 16.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.839 179.388 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.948 HG22 HD13 ' A' ' 46' ' ' ILE . 44.9 t -131.06 126.06 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.223 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.609 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -123.24 143.59 49.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.482 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.71 -27.22 12.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.119 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.869 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.9 mm -61.65 145.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.976 0.417 . . . . 0.0 110.966 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.735 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.87 144.71 33.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.093 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.41 -9.2 57.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.244 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -94.59 25.09 4.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.275 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.869 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.6 m-30 -89.25 25.57 1.86 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.289 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 3.1 t0 80.46 -15.01 0.78 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.763 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 62.36 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 111.124 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -53.26 -67.32 0.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.191 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -48.0 -27.16 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.377 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.611 ' CD2' HD21 ' A' ' 115' ' ' LEU . 1.5 tt -62.09 -68.93 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.578 HG21 ' C ' ' A' ' 84' ' ' GLY . 10.7 p -82.38 -40.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.62 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' N ' HG13 ' A' ' 73' ' ' VAL . 22.1 tttt -47.63 -42.95 25.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.443 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -64.01 -29.43 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CD2' HD22 ' A' ' 98' ' ' LEU . 7.5 t80 -60.45 -46.66 89.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 1.9 mtpt -70.1 -9.76 56.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.307 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.55 -21.39 13.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.704 0.288 . . . . 0.0 110.965 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 tmtm? -95.07 -37.61 11.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.403 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.526 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 7.7 m-85 -114.92 -18.08 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.551 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.26 32.37 1.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.972 0.415 . . . . 0.0 110.771 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.9 m -105.04 -177.49 3.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.638 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -107.73 116.14 31.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 109.985 179.724 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.578 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -123.66 131.1 7.93 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.361 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.449 ' O ' HD13 ' A' ' 96' ' ' ILE . 23.2 p -125.27 168.34 13.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.906 0.384 . . . . 0.0 111.248 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.6 p -118.01 107.96 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.781 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.1 pt -115.16 151.72 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.429 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -101.9 71.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.561 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -55.68 136.22 71.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.134 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.97 -18.42 13.05 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.531 2.154 . . . . 0.0 112.165 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.469 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -81.16 -23.56 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.536 ' HD2' HG21 ' A' ' 95' ' ' VAL . 1.2 m-85 -123.46 -51.23 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.076 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.67 99.6 2.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 62.09 88.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 61' ' ' GLN . 18.6 m -140.57 137.36 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.743 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mm -73.13 155.83 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.131 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.784 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -132.48 103.56 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.799 0.333 . . . . 0.0 111.509 -179.296 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.964 HD11 HD13 ' A' ' 106' ' ' ILE . 3.2 mt -90.56 156.36 18.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.91 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.98 147.79 24.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.788 0.327 . . . . 0.0 111.014 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.47 169.42 1.86 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.172 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.822 ' HA ' HD11 ' A' ' 48' ' ' ILE . 5.4 p-10 -72.64 97.46 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.745 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.46 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -104.3 14.3 30.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.932 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.1 mtm105 -44.91 -32.87 1.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 0.0 111.426 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -93.81 -22.71 18.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.409 ' HB2' ' HG3' ' A' ' 102' ' ' GLN . 27.3 m-80 -88.7 -38.22 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.044 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.964 HD13 HD11 ' A' ' 98' ' ' LEU . 6.8 tp -67.94 -50.51 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.621 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.556 ' O ' HG23 ' A' ' 111' ' ' VAL . 8.4 m -59.53 -32.73 70.58 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -73.58 -33.06 64.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.422 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.838 ' CE2' HD13 ' A' ' 113' ' ' ILE . 70.6 t80 -72.62 -45.1 60.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.323 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.64 HD23 ' CB ' ' A' ' 116' ' ' ALA . 6.1 mp -58.8 -29.46 66.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.701 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 107' ' ' CYS . 48.6 t -91.58 -30.63 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.57 -44.63 70.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.826 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.969 HD11 HD22 ' A' ' 115' ' ' LEU . 6.4 pt -89.14 -17.0 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.451 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.89 32.34 21.38 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.581 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.969 HD22 HD11 ' A' ' 113' ' ' ILE . 4.6 tp -76.74 -72.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 111.067 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.64 ' CB ' HD23 ' A' ' 110' ' ' LEU . . . -90.31 -168.49 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.473 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 149.24 52.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.637 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.523 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.9 t70 -58.23 -28.21 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.333 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 1.9 m-20 -76.65 -19.55 57.65 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.423 ' NE2' HG12 ' A' ' 44' ' ' ILE . 29.3 mt-30 -103.35 -12.67 17.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.061 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.546 HD22 ' SG ' ' A' ' 107' ' ' CYS . 17.8 mt -50.63 92.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.004 0.43 . . . . 0.0 111.146 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -114.83 84.05 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 123' ' ' VAL . 13.8 p -89.9 124.05 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 111.755 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.502 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 42.4 m-70 -131.83 84.48 2.17 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.817 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 126' ' ' PHE . . . -74.7 100.55 1.21 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.701 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.615 ' N ' HG22 ' A' ' 48' ' ' ILE . 1.5 p90 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.146 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.888 0.375 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 ttp85 -120.28 81.18 1.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.61 166.51 28.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.542 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -98.64 118.25 34.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.3 -169.75 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 42.25 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -58.82 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 62.61 -171.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -151.86 -77.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -72.51 93.93 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 p -121.75 -78.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.92 59.48 7.84 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.77 -28.89 19.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.573 2.182 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.6 mtt -97.49 37.52 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.7 -25.87 10.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.21 40.62 1.08 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mt -139.96 95.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 63.82 126.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.77 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -135.5 108.14 7.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.031 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.68 114.62 21.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.764 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -72.21 85.2 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.034 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -151.81 98.41 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -87.16 133.77 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.31 66.38 2.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.7 -44.04 39.68 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.62 2.213 . . . . 0.0 112.215 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -112.82 -28.86 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.039 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.17 86.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -171.17 -165.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.752 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.86 -175.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.94 0.4 . . . . 0.0 111.275 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m 63.75 148.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -102.26 -40.91 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.02 164.3 35.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.593 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -112.85 31.5 6.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -80.38 81.31 6.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.1 152.93 43.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt 62.41 150.12 0.1 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.38 99.65 0.83 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.532 2.155 . . . . 0.0 112.287 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.52 95.82 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.91 87.25 0.45 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.41 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.511 HG22 ' OH ' ' A' ' 43' ' ' TYR . 1.9 p -114.57 70.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 111.109 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -134.6 -4.53 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.848 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.66 81.14 1.99 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.811 0.339 . . . . 0.0 110.661 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.511 ' OH ' HG22 ' A' ' 40' ' ' THR . 80.5 m-85 -121.99 164.85 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.51 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.821 HD13 ' HA3' ' A' ' 62' ' ' GLY . 32.9 mm -128.07 77.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.45 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.575 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -60.15 154.97 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.647 -178.494 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.596 HG13 HG22 ' A' ' 60' ' ' VAL . 1.2 mp -148.23 101.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.824 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 124' ' ' HIS . 2.1 mtt180 -121.41 138.23 54.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.156 0.503 . . . . 0.0 112.026 -178.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.747 ' CG2' HG22 ' A' ' 56' ' ' THR . 89.7 mt -87.42 157.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.723 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' HG22 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -138.84 82.95 1.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.981 179.164 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.607 ' HG3' HG23 ' A' ' 56' ' ' THR . 2.6 tt0 -87.65 99.15 11.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.476 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -76.85 119.57 20.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.198 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 71.36 21.47 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.651 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.97 27.57 72.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.885 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' THR . 9.0 mtt180 -142.7 -63.32 0.42 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.701 0.251 . . . . 0.0 111.373 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -61.83 77.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.747 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -79.54 129.7 34.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.212 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.895 HD23 ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -140.57 107.33 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -76.43 133.03 39.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.288 -179.718 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.541 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -121.79 130.84 53.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.867 0.365 . . . . 0.0 111.028 179.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.615 HG11 HG12 ' A' ' 63' ' ' ILE . 54.6 t -97.34 128.29 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -113.43 81.66 1.55 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.302 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.821 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 167.86 -33.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.742 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.907 HG23 ' CD2' ' A' ' 67' ' ' TYR . 34.0 mm -54.18 140.75 10.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.072 0.463 . . . . 0.0 111.319 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.643 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -86.59 139.42 30.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.412 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -61.0 -21.02 63.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.07 -29.2 70.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.821 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.907 ' CD2' HG23 ' A' ' 63' ' ' ILE . 3.8 m-30 -51.56 142.1 14.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.35 101.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.31 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -41.99 -43.41 3.15 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.52 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 3.6 ptpp? -69.73 -41.0 75.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.75 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -4.22 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.86 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.886 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -104.75 -71.18 0.75 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.422 -179.708 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.415 HG13 ' CD1' ' A' ' 96' ' ' ILE . 31.0 m -77.81 -41.97 28.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.51 0.195 . . . . 0.0 111.403 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -63.62 -47.06 82.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -61.71 -45.26 94.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.831 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.754 ' CD2' HD22 ' A' ' 98' ' ' LEU . 5.1 t80 -45.3 -56.13 5.21 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.825 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 4.3 mtpm? -55.66 -22.76 24.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.192 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.01 -18.19 54.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.768 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -108.61 -42.75 4.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.49 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.495 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -115.43 -16.94 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.767 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 65.91 33.48 7.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.875 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.6 m -100.64 144.31 29.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.777 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.7 98.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.794 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.77 139.49 14.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 97' ' ' GLN . 80.3 p -139.59 148.4 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 86' ' ' VAL . 7.1 p -109.5 95.0 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.745 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 pt -108.78 150.99 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.926 0.394 . . . . 0.0 111.668 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -98.74 75.04 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.925 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -52.06 139.02 34.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.545 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.21 -24.78 5.32 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.63 2.22 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 24.1 mt-10 -83.67 -26.84 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.442 ' CG ' ' OE1' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -112.08 -51.94 2.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.906 0.384 . . . . 0.0 110.797 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.65 96.97 1.86 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 65.55 92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 61' ' ' GLN . 31.2 m -142.91 149.02 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.6 OUTLIER -92.42 117.67 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.322 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.613 ' HG2' HD22 ' A' ' 57' ' ' LEU . 1.8 tt0 -96.89 110.87 23.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.772 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.895 ' O ' HD23 ' A' ' 57' ' ' LEU . 8.6 mt -104.93 156.85 17.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.928 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.69 142.09 27.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 111.652 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.65 177.23 50.13 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.624 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -77.97 75.63 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.356 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.445 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -92.04 6.33 46.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.742 -179.358 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.44 ' HG2' HD11 ' A' ' 48' ' ' ILE . 4.1 ptt180 -44.57 -31.21 1.06 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.856 0.36 . . . . 0.0 111.06 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.45 -24.22 15.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.039 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -81.74 -41.41 21.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.541 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.834 HD13 HD11 ' A' ' 98' ' ' LEU . 6.0 tp -67.39 -48.31 78.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.971 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.665 ' HB2' HD22 ' A' ' 121' ' ' LEU . 29.2 p -53.68 -33.47 55.49 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -53.32 31.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.723 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.948 ' CE2' HD13 ' A' ' 113' ' ' ILE . 63.6 t80 -55.81 -47.66 76.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.866 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.714 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.7 mp -55.0 -30.56 59.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.864 HG21 HD11 ' A' ' 121' ' ' LEU . 64.8 t -94.56 -25.66 4.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.073 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.53 -40.68 49.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.019 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.979 HD11 HD22 ' A' ' 115' ' ' LEU . 12.9 pt -90.12 -23.91 5.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.765 0.316 . . . . 0.0 111.3 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.76 29.85 7.51 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.858 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.979 HD22 HD11 ' A' ' 113' ' ' ILE . 2.5 tp -78.68 -73.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 0.0 110.746 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.776 ' HB2' HG21 ' A' ' 44' ' ' ILE . . . -84.17 -167.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.433 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.48 151.47 51.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.531 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.741 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.1 p-10 -61.42 -28.92 69.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.418 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -80.27 -15.85 56.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.875 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -111.62 0.66 16.45 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.196 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.864 HD11 HG21 ' A' ' 111' ' ' VAL . 13.9 mt -64.65 76.8 0.04 OUTLIER 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.808 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -93.39 79.26 4.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.752 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.4 p -87.69 121.02 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.616 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 47' ' ' ARG . 71.9 m-70 -130.63 137.83 49.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -104.47 126.84 8.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.084 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.185 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 mtm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.801 0.334 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.48 50.72 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.98 68.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p -100.77 37.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -131.84 -59.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t60 69.38 9.39 7.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.525 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 168.97 -78.43 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.791 0.329 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 8' ' ' HIS . 32.4 t60 -161.88 44.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.78 135.55 57.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -97.51 76.17 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 p -105.72 165.2 11.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.808 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 59.76 97.2 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.8 -1.76 9.05 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.612 2.208 . . . . 0.0 112.344 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.572 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER 55.61 38.3 30.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.0 t 52.46 29.15 6.65 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.72 33.74 12.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.16 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 17' ' ' ILE . 12.0 mt -74.78 90.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.557 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.35 119.56 39.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 61.92 118.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.037 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.7 mm? -74.42 143.35 44.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -160.0 130.3 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 p -115.48 137.23 52.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -131.91 121.76 24.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -124.16 139.88 33.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 38.9 Cg_exo -59.25 -20.14 53.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.358 2.039 . . . . 0.0 112.3 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -86.4 -37.6 18.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.656 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.58 40.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -128.39 -49.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.59 96.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 p -157.65 105.12 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.07 151.87 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -143.01 -156.48 6.79 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -94.23 110.3 22.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -129.45 44.28 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.634 ' C ' HD22 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -120.32 166.45 13.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.634 HD22 ' C ' ' A' ' 35' ' ' LEU . 4.2 mm? -124.88 156.37 68.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.24 109.33 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.648 2.232 . . . . 0.0 112.256 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.65 137.12 48.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -116.61 -129.54 4.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.557 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 1.5 p -127.43 -41.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.739 0.304 . . . . 0.0 111.099 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' CB ' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 66.6 12.0 8.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.495 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 50.94 56.97 7.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.061 0.458 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CE1' ' CB ' ' A' ' 41' ' ' GLU . 17.8 m-85 -60.63 165.17 4.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.019 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.508 HD12 HD13 ' A' ' 63' ' ' ILE . 50.8 mm -116.51 103.51 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.102 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.654 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -63.92 139.93 58.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.621 -178.634 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.654 HD12 ' C ' ' A' ' 45' ' ' HIS . 1.6 mp -136.8 104.05 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.811 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -125.45 144.96 50.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.351 0.596 . . . . 0.0 112.433 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.869 HG23 HG22 ' A' ' 56' ' ' THR . 8.0 mt -97.43 149.77 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.371 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 49' ' ' GLN . 7.1 pt20 -140.15 88.77 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.093 0.473 . . . . 0.0 110.962 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.1 tt0 -92.4 95.47 9.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.543 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -55.57 -36.03 66.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -127.82 -152.22 0.51 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.025 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.98 36.23 3.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.457 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' THR . 11.5 ptp180 173.19 -27.27 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.432 0.158 . . . . 0.0 111.418 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -67.67 65.74 0.08 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.947 0.403 . . . . 0.0 110.786 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.869 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -84.94 151.74 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.157 -179.603 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.461 ' HA ' ' O ' ' A' ' 98' ' ' LEU . 5.1 mt -151.0 72.66 1.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.985 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 90.9 m -51.67 141.7 16.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.344 . . . . 0.0 111.361 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.436 ' CG2' ' HG3' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -123.37 157.29 33.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 179.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.57 HG12 HG12 ' A' ' 63' ' ' ILE . 53.8 t -130.41 121.3 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.051 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.2 139.94 51.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.464 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.41 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 115.07 -30.24 6.91 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.135 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.798 HG23 ' CE2' ' A' ' 67' ' ' TYR . 9.2 mm -56.44 145.18 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.02 0.438 . . . . 0.0 111.085 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.623 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -82.48 133.33 35.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.478 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.06 -18.61 61.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.678 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.85 -25.57 66.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.711 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.798 ' CE2' HG23 ' A' ' 63' ' ' ILE . 5.7 m-30 -49.4 167.59 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.75 81.86 8.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.275 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.76 ' HD3' HG21 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -36.97 -42.96 0.43 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.523 -179.58 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -63.07 -68.73 0.31 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.574 179.557 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -58.94 -18.85 37.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.431 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.706 ' HG ' HD21 ' A' ' 115' ' ' LEU . 2.2 tt -65.55 -68.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.423 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.894 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.11 -40.52 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.667 -179.585 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -50.49 -41.81 53.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.957 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.8 74.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.66 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.485 ' CE2' HD22 ' A' ' 98' ' ' LEU . 11.7 t80 -59.88 -47.61 85.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.579 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -64.82 -13.79 56.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.362 179.678 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -100.73 -20.03 15.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.677 0.275 . . . . 0.0 111.301 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 2.3 tttm -96.67 -34.35 11.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.615 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.541 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 6.6 m-85 -119.63 -17.58 8.6 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 74.24 32.37 1.0 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.956 0.407 . . . . 0.0 110.781 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 23.0 m -108.54 -175.01 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.62 123.52 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 0.0 110.539 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -121.24 119.17 4.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.404 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.579 ' O ' HD13 ' A' ' 96' ' ' ILE . 70.2 p -117.7 162.28 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 111.112 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.76 HG21 ' HD3' ' A' ' 69' ' ' LYS . 8.5 p -113.36 69.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 89' ' ' HIS . 1.2 pp -76.21 153.68 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.544 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -106.96 71.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.291 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.2 t-80 -52.71 130.86 46.79 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.219 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -15.61 21.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.42 2.08 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.92 -24.6 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -119.32 -53.76 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.93 98.96 2.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.653 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 61.84 86.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.0 111.189 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.78 146.17 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.894 HD12 ' CG1' ' A' ' 73' ' ' VAL . 1.2 mm -84.87 121.84 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.893 0.378 . . . . 0.0 110.231 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.436 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER -99.72 112.29 24.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.716 -178.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.817 HD11 HD13 ' A' ' 106' ' ' ILE . 2.8 mt -99.95 157.77 16.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.046 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -94.84 133.16 38.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.87 165.01 40.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.411 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.457 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 30.5 p-10 -65.43 80.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.783 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.49 ' O ' HG22 ' A' ' 106' ' ' ILE . 10.4 mm-40 -87.05 -0.05 56.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.732 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -30.25 0.38 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.762 0.315 . . . . 0.0 111.519 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.68 -23.76 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.144 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.66 -41.94 13.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.385 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.817 HD13 HD11 ' A' ' 98' ' ' LEU . 7.9 tp -65.78 -51.06 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.254 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.733 ' HB2' HD22 ' A' ' 121' ' ' LEU . 26.5 p -55.94 -36.73 68.07 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -32.94 67.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.55 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.849 ' CE2' HD13 ' A' ' 113' ' ' ILE . 78.7 t80 -73.14 -46.4 51.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.448 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.1 mp -56.63 -30.21 63.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.76 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 107' ' ' CYS . 57.5 t -91.6 -30.47 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.27 -42.11 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.849 HD13 ' CE2' ' A' ' 109' ' ' PHE . 8.8 pt -88.95 -30.03 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.342 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.17 31.81 5.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.656 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.706 HD21 ' HG ' ' A' ' 72' ' ' LEU . 5.7 tp -77.42 -70.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.732 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -92.13 -171.43 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.425 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.02 149.59 33.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.447 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.432 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 10.0 m-20 -58.41 -30.62 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 110.598 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.1 -27.52 39.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.271 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB3' HG12 ' A' ' 44' ' ' ILE . 18.3 mt-30 -84.6 -3.84 58.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.256 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.733 HD22 ' HB2' ' A' ' 107' ' ' CYS . 51.7 mt -57.68 88.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.816 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -101.67 69.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.044 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 123' ' ' VAL . 9.5 p -78.35 114.46 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.448 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 90.7 m-70 -111.84 -34.78 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.363 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.01 -113.61 4.9 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.119 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.946 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.0 mmm . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.27 31.93 21.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.66 105.38 0.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.571 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -84.21 -68.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -102.92 -29.25 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.3 -41.71 98.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 61.16 74.8 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -59.94 179.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -141.59 122.3 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -82.98 -26.41 31.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.9 p -55.6 114.69 1.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.052 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -118.58 138.1 25.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.18 -25.72 39.17 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.492 2.128 . . . . 0.0 112.407 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -23.89 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.5 p -55.03 -30.75 60.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.12 94.43 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mt -115.66 118.15 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -97.93 116.21 29.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.07 -56.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt 62.17 96.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -66.91 129.31 39.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.98 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.5 p 54.49 82.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -86.33 141.19 29.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 61.26 110.27 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.62 -21.16 23.74 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.514 2.143 . . . . 0.0 112.609 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -98.3 -25.69 14.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.879 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.79 112.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.086 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.77 97.73 8.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.97 163.06 23.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 t -70.22 -77.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -176.7 -65.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.84 -96.24 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 109.27 7.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -110.83 72.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.67 36.06 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.82 148.11 68.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.77 -175.52 2.14 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.619 2.213 . . . . 0.0 112.329 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 58.45 168.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.91 -112.89 0.3 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.485 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 9.0 p -120.6 -3.9 9.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.583 0.23 . . . . 0.0 111.385 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 57.1 18.77 4.27 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.654 0.264 . . . . 0.0 111.448 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t0 47.3 63.48 1.95 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.858 0.361 . . . . 0.0 111.124 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CE1' ' O ' ' A' ' 40' ' ' THR . 19.6 m-30 -65.11 161.75 18.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.192 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.858 HG21 HD21 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -112.52 104.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.02 179.503 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.724 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -68.42 147.6 51.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.949 -179.206 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.724 HD12 ' C ' ' A' ' 45' ' ' HIS . 1.6 mp -146.74 106.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.027 179.016 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -138.56 125.57 21.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.953 HG23 HG22 ' A' ' 56' ' ' THR . 34.7 mt -63.51 158.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.632 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.489 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 5.6 pt20 -152.08 76.61 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.151 0.5 . . . . 0.0 110.403 178.314 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.1 tt0 -76.24 98.12 4.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.791 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -56.06 -39.08 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -125.15 -152.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.082 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.55 38.6 3.19 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.548 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' THR . 2.4 ptp180 170.87 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.55 0.175 . . . . 0.0 111.412 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 1.8 mmpt? -68.29 65.15 0.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.981 0.42 . . . . 0.0 110.76 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.953 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -80.6 132.01 35.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.052 -179.594 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.54 HD22 HE21 ' A' ' 97' ' ' GLN . 10.3 mt -130.08 75.62 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.394 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 87.6 m -58.48 113.65 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.666 0.27 . . . . 0.0 110.849 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -96.9 170.66 9.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.955 0.407 . . . . 0.0 111.467 -179.803 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.525 HG22 HG13 ' A' ' 46' ' ' ILE . 70.5 t -137.01 113.93 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.059 179.633 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -101.19 74.75 1.59 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.721 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.25 -54.85 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.62 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.838 HG21 HD11 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -54.7 149.29 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.981 0.419 . . . . 0.0 110.772 179.904 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.36 162.8 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.381 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.9 -11.39 60.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.011 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -95.14 27.57 3.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.811 0.338 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.773 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.8 m-30 -95.34 37.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.669 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 2.7 t0 81.47 -16.39 0.64 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.666 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 tttt 64.83 -74.06 0.05 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.699 0.285 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -60.6 -68.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.704 179.785 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -48.66 -24.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.838 HD11 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -68.88 -77.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.424 -179.802 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.534 HG21 ' N ' ' A' ' 85' ' ' THR . 4.8 p -86.31 -40.52 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.066 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -52.25 -42.25 63.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 111.088 -179.856 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.57 71.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.824 ' CE2' HD22 ' A' ' 98' ' ' LEU . 6.8 t80 -53.94 -46.51 71.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.463 179.376 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 2.4 mttt -66.35 -15.01 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.128 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -97.6 -20.75 17.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.248 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 3.5 tttm -96.15 -48.63 5.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.581 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.56 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 4.1 m-85 -103.34 -20.34 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.317 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.94 34.19 0.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.018 0.437 . . . . 0.0 110.713 -179.315 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 30.6 m -116.52 166.06 12.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.653 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -85.74 141.81 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.681 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.513 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -150.99 152.49 24.29 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.748 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.534 ' N ' HG21 ' A' ' 73' ' ' VAL . 30.2 p -147.24 162.61 38.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 86' ' ' VAL . 9.2 p -115.4 69.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pp -79.14 157.49 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.602 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -109.54 69.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.381 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.1 t-80 -49.51 128.7 18.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.273 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.59 -16.76 23.89 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.47 2.113 . . . . 0.0 112.165 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -84.87 -26.56 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.438 ' HD2' HG21 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -113.71 -52.93 2.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.39 95.2 2.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.781 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 58.75 92.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 0.0 111.199 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 61' ' ' GLN . 29.5 m -142.14 141.38 28.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 59' ' ' THR . 1.3 mm -79.68 127.65 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.54 HE21 HD22 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -104.84 108.87 20.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.445 -179.153 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.01 HD11 HD13 ' A' ' 106' ' ' ILE . 15.0 mt -97.59 156.89 16.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.116 179.098 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -100.75 124.63 46.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.23 167.76 32.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.357 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.47 ' HB2' HD11 ' A' ' 48' ' ' ILE . 8.3 p-10 -67.99 73.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.546 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.483 ' O ' HG22 ' A' ' 106' ' ' ILE . 13.9 mm-40 -86.51 2.9 46.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.735 -179.404 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -43.4 -29.69 0.46 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.703 0.287 . . . . 0.0 111.481 -179.774 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -102.65 -21.61 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.193 179.81 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -86.65 -38.06 17.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.477 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 1.01 HD13 HD11 ' A' ' 98' ' ' LEU . 5.5 tp -69.05 -49.17 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.283 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.615 ' HB2' HD22 ' A' ' 121' ' ' LEU . 25.9 p -53.03 -34.57 57.02 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 178.514 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -65.59 -45.34 83.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.88 178.664 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.78 ' CE1' HG21 ' A' ' 113' ' ' ILE . 35.7 t80 -55.9 -54.0 50.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.191 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.858 HD21 HG21 ' A' ' 44' ' ' ILE . 6.7 mp -54.28 -29.25 46.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.507 HG23 HD21 ' A' ' 121' ' ' LEU . 62.0 t -92.97 -23.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.257 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 108' ' ' GLN . 4.8 mm-40 -85.24 -46.9 10.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.309 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 1.02 HD11 HD22 ' A' ' 115' ' ' LEU . 2.4 pt -90.65 16.82 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.878 -179.21 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 50.88 49.28 42.39 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.562 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.02 HD22 HD11 ' A' ' 113' ' ' ILE . 8.0 tp -94.93 -68.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.913 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.735 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -99.56 178.66 4.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.751 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.61 155.49 18.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.502 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.438 ' HA ' HD12 ' A' ' 121' ' ' LEU . 4.8 m-20 -61.71 -28.15 69.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.28 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.23 -21.29 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.24 179.036 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.437 ' HB3' HD13 ' A' ' 44' ' ' ILE . 13.1 mt-30 -91.25 -4.44 55.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.108 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.615 HD22 ' HB2' ' A' ' 107' ' ' CYS . 31.2 mt -62.34 79.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.031 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 120' ' ' GLN . 9.7 mmtt -94.36 73.48 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.32 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 123' ' ' VAL . 12.0 p -89.8 120.37 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.709 -179.358 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.411 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 34.0 m-70 -111.71 -34.33 6.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.465 179.394 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 46.03 61.4 3.97 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.305 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.094 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.788 0.327 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.98 102.83 15.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.28 139.06 14.6 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.1 p -63.34 122.11 15.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -106.25 91.14 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 74.33 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -78.78 108.88 12.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -176.68 85.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -167.25 42.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -116.79 107.01 14.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -108.43 41.46 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -132.59 97.72 17.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.5 -1.1 9.23 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.628 2.218 . . . . 0.0 112.22 179.368 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.577 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER 55.51 37.98 29.62 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -178.775 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.9 t 52.8 29.06 7.07 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -177.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.33 34.11 13.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.077 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 14' ' ' MET . 11.0 mt -73.96 95.01 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.731 179.749 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -109.56 113.48 26.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -172.12 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.8 tp -61.87 -65.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -151.7 95.4 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.41 110.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 22.3 p90 -100.18 123.53 44.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.464 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -137.47 129.81 16.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.926 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.85 -26.75 40.77 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.411 2.074 . . . . 0.0 112.304 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.25 0.35 45.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.411 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 24' ' ' ASP . . . -138.8 92.45 2.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.905 0.383 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -121.75 -42.91 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.9 84.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -145.7 -49.07 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.61 -49.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.26 -50.75 0.75 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.397 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.57 116.11 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -96.92 -37.66 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 mt -106.17 161.97 14.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -146.79 145.69 23.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.43 -64.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.561 2.174 . . . . 0.0 112.293 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 58.04 166.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.14 109.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.632 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 29.3 p -141.43 16.08 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.621 0.248 . . . . 0.0 111.19 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 50.43 23.82 1.39 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.646 179.92 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 44.63 64.46 1.34 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.897 0.379 . . . . 0.0 111.317 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.489 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.1 m-30 -67.12 172.71 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 61' ' ' GLN . 24.0 mm -109.9 98.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.066 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.541 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -72.68 119.74 17.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.284 -178.79 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.691 HD12 ' CG2' ' A' ' 106' ' ' ILE . 40.5 mm -80.55 -96.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.649 178.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 5.1 tpp180 89.39 131.75 0.03 OUTLIER 'General case' 0 C--N 1.346 0.439 0 CA-C-O 121.149 0.499 . . . . 0.0 112.009 179.118 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.909 HD11 ' HA ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -111.26 171.75 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.392 179.545 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.605 ' N ' HG23 ' A' ' 48' ' ' ILE . 2.4 pt20 -162.13 99.77 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 178.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 18.0 tt0 -106.64 116.1 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.501 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.81 142.99 32.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.389 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.6 t30 61.86 20.47 11.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.887 -179.585 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.57 43.21 99.59 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.81 179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -173.73 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 111.57 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 50' ' ' GLN . 2.4 tptm -70.09 65.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 111.284 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -75.54 143.05 42.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 179.804 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.722 HD13 ' OE1' ' A' ' 97' ' ' GLN . 1.9 mt -149.76 101.73 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.706 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.3 m -82.28 116.08 21.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.587 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -91.53 172.18 8.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 179.634 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.505 HG22 HG12 ' A' ' 106' ' ' ILE . 86.1 t -140.14 119.48 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.639 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -116.56 153.29 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.723 179.761 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.53 -25.7 26.87 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.215 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.863 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.0 mm -72.88 146.43 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 111.152 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.635 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -83.53 140.31 32.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -66.52 -12.78 59.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -96.08 30.25 2.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.473 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.863 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.2 m-30 -87.23 34.58 0.69 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.646 0.26 . . . . 0.0 111.465 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 70' ' ' LYS . 11.8 t0 77.91 -11.79 1.16 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.08 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.746 0.308 . . . . 0.0 111.223 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 12.8 mmtp -52.07 -66.03 0.46 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.121 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 1.3 tppt? -46.49 -25.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.577 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HG ' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -68.68 -71.21 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.549 -179.794 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.844 ' CG1' HD12 ' A' ' 96' ' ' ILE . 2.6 m -90.94 -41.29 13.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.598 -179.466 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 19.6 tptt -50.14 -40.69 47.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 110.564 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -73.26 -31.68 64.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.671 179.712 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.785 ' CD2' HD22 ' A' ' 98' ' ' LEU . 15.4 t80 -57.02 -41.35 78.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.619 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 13.4 mtmt -69.8 -14.09 62.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.019 179.587 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -92.03 -19.24 22.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.804 179.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -99.09 -45.54 5.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.497 -179.604 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.418 ' CZ ' ' HD3' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -119.72 -10.53 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.219 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 64.18 45.23 4.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.008 0.432 . . . . 0.0 110.817 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -113.28 138.14 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.78 104.31 0.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.01 112.55 4.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.223 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.4 p -111.84 150.09 30.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.735 ' HA ' HD13 ' A' ' 96' ' ' ILE . 10.1 p -103.67 65.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.9 pt -68.69 157.24 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 111.486 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -112.61 73.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.21 179.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.428 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.5 t-80 -55.73 142.26 63.37 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.404 -179.369 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 88.7 Cg_endo -81.49 -24.45 4.35 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.689 2.259 . . . . 0.0 112.577 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 11.5 mt-10 -82.95 -21.19 34.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.073 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.4 ' HD2' HG21 ' A' ' 95' ' ' VAL . 1.5 m-85 -119.0 -50.41 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.0 97.16 1.69 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.636 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.79 87.72 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.62 HG11 ' HG3' ' A' ' 61' ' ' GLN . 17.1 m -141.78 137.94 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.728 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.844 HD12 ' CG1' ' A' ' 73' ' ' VAL . 6.9 mm -71.53 149.87 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.48 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.722 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -129.76 86.86 2.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.827 0.346 . . . . 0.0 111.235 -179.419 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.042 HD11 HD13 ' A' ' 106' ' ' ILE . 7.1 mt -70.55 157.53 37.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.414 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.68 144.89 25.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.664 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.54 176.12 38.83 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.883 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.909 ' HA ' HD11 ' A' ' 48' ' ' ILE . 25.7 p-10 -79.64 92.82 5.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.049 0.452 . . . . 0.0 110.761 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -105.21 10.23 33.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.087 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -27.2 2.14 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.76 0.314 . . . . 0.0 111.197 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.58 -25.13 14.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.165 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -84.0 -39.82 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 1.042 HD13 HD11 ' A' ' 98' ' ' LEU . 7.7 tp -62.17 -51.4 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.108 -179.703 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.544 ' N ' HG23 ' A' ' 106' ' ' ILE . 1.3 m -57.68 -33.31 68.22 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.302 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -73.08 -32.42 65.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.576 178.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.922 ' CE2' HD13 ' A' ' 113' ' ' ILE . 79.5 t80 -74.2 -47.76 33.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.602 179.534 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 4.3 mp -56.63 -29.79 62.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.799 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 107' ' ' CYS . 61.7 t -91.08 -29.36 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.58 -46.26 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.792 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.922 HD13 ' CE2' ' A' ' 109' ' ' PHE . 10.1 pt -85.2 -19.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.394 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.44 31.52 16.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.628 -179.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.907 HD22 HD11 ' A' ' 113' ' ' ILE . 5.8 tp -76.41 -69.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.928 -179.72 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.574 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -92.91 -169.52 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 144.7 43.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.474 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 2.9 p30 -53.02 -30.49 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.937 -179.808 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -79.73 -28.44 40.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.332 179.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.489 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 33.8 mt-30 -80.41 -11.09 59.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.348 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 118' ' ' ASP . 65.2 mt -50.62 89.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 111.213 -179.486 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -110.74 81.95 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.411 179.786 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.9 p -91.7 122.63 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.797 -179.351 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.541 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 19.6 m-70 -132.4 37.74 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.137 179.343 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.578 ' HA2' ' HB ' ' A' ' 48' ' ' ILE . . . -53.74 91.51 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.898 -0.667 . . . . 0.0 113.059 -179.477 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.443 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.035 179.609 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.888 0.375 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -109.37 -37.1 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.37 121.87 4.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.56 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.3 t -167.85 154.13 7.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -148.84 139.32 22.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -149.72 156.37 41.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -171.26 43.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.36 77.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -151.8 136.42 17.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -179.21 0.39 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.8 p -141.95 123.0 14.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.995 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 60.41 97.85 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.59 -0.55 8.98 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.643 2.229 . . . . 0.0 112.238 179.169 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.557 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER 55.32 37.33 28.74 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 -178.756 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.75 29.16 7.11 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -177.7 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.37 34.87 15.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.162 -0.927 . . . . 0.0 109.983 -178.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 14' ' ' MET . 10.6 mt -72.9 98.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 59.63 176.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -103.26 -17.81 15.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.192 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.73 169.91 0.08 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 111.145 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -167.31 83.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -59.16 114.2 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.72 137.19 57.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 10.2 m-20 61.13 64.06 2.3 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.47 -26.4 63.21 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.585 2.19 . . . . 0.0 112.259 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.71 37.22 2.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.612 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . . . -162.75 117.75 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -84.49 72.27 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.35 157.34 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.28 98.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -75.63 178.26 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -116.45 25.74 8.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.63 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -106.73 -46.29 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -142.04 99.96 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.81 90.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 mt -60.0 139.99 90.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.26 -160.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.495 2.13 . . . . 0.0 112.284 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 63.31 89.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.67 ' O ' HG23 ' A' ' 40' ' ' THR . . . -169.8 96.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.334 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER 177.49 -31.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.614 0.245 . . . . 0.0 111.115 -179.914 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.28 9.0 6.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.428 -179.823 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.94 59.16 4.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.125 0.488 . . . . 0.0 110.976 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' CE1' ' O ' ' A' ' 40' ' ' THR . 20.6 m-30 -60.73 167.09 2.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.539 HD12 HD13 ' A' ' 63' ' ' ILE . 35.2 mm -117.05 100.13 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.388 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.508 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -74.73 132.05 41.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.109 -178.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.702 HD12 ' CG2' ' A' ' 106' ' ' ILE . 27.9 mm -93.41 -99.72 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.15 178.746 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 91.28 130.14 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.336 0.588 . . . . 0.0 112.22 178.703 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.899 HD11 ' HA ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -105.79 171.94 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.865 179.097 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.61 ' N ' HG23 ' A' ' 48' ' ' ILE . 2.4 pt20 -161.32 99.54 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.137 0.494 . . . . 0.0 111.098 178.668 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.536 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 11.6 tt0 -107.35 94.83 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.685 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -53.64 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -81.83 -150.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.637 179.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.78 35.29 4.13 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.302 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' THR . 8.2 ptm180 178.86 -27.48 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.42 67.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.805 0.336 . . . . 0.0 111.288 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 0.2 OUTLIER -85.4 163.1 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.933 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.833 HD23 ' O ' ' A' ' 98' ' ' LEU . 1.7 mt -162.01 93.92 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.5 m -72.53 117.77 14.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.069 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -99.48 162.92 12.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.962 0.41 . . . . 0.0 111.203 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 106' ' ' ILE . 54.7 t -133.04 114.93 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.061 179.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.675 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -114.92 140.27 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.449 179.744 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.44 -29.89 7.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.898 -179.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.847 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.6 mm -64.89 146.96 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 110.621 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.803 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -67.58 162.04 24.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.253 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.59 20.23 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.81 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -142.31 37.72 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.814 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.847 ' CD2' HG23 ' A' ' 63' ' ' ILE . 4.5 m-30 -86.92 35.75 0.7 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t70 76.24 -5.68 2.14 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 tttp 58.43 -80.52 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.724 0.297 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ASP . 24.9 mttm -50.15 -60.94 2.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.957 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -47.67 -24.81 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.434 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.739 HD13 HG13 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -70.08 -69.73 0.33 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.525 -179.771 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.917 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -86.13 -41.52 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.404 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 18.2 tttp -48.03 -40.96 24.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.024 0.44 . . . . 0.0 110.65 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -33.86 75.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.622 179.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.564 ' CZ ' HD23 ' A' ' 98' ' ' LEU . 9.4 t80 -60.86 -56.51 20.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 34.0 mtmt -57.03 -20.51 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.299 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -93.97 -21.85 18.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.221 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.419 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 1.4 tttm -96.42 -31.61 12.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.525 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 17.7 m-85 -120.27 -15.46 8.63 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.179 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 73.36 29.58 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 0.0 110.716 -179.582 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.0 m -102.78 -162.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.6 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -121.03 119.79 33.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 110.334 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.476 ' HA2' HD12 ' A' ' 98' ' ' LEU . . . -114.46 114.43 3.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.334 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.621 ' O ' HD13 ' A' ' 96' ' ' ILE . 18.2 p -114.96 158.57 21.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 0.0 111.18 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.64 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.6 p -111.76 105.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -117.46 154.27 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.389 -179.853 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.7 74.77 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.012 0.434 . . . . 0.0 110.45 179.351 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.2 t-80 -55.76 138.56 70.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.359 -179.752 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.69 -19.6 9.81 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.715 2.276 . . . . 0.0 112.285 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.454 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -81.94 -25.02 35.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.986 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.501 ' HD2' HG21 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -118.86 -52.01 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.59 90.02 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.561 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 71.92 91.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 111.008 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.675 HG12 ' HA ' ' A' ' 61' ' ' GLN . 16.7 m -143.59 148.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.917 HD12 ' CG1' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -83.93 126.17 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.369 179.807 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.506 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -100.67 109.39 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.907 -178.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.833 ' O ' HD23 ' A' ' 57' ' ' LEU . 2.7 mp -91.93 164.43 13.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.594 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.3 140.36 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 111.19 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.16 -169.9 54.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.407 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.899 ' HA ' HD11 ' A' ' 48' ' ' ILE . 6.6 p-10 -90.22 87.03 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.081 0.467 . . . . 0.0 110.584 179.753 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.428 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.4 OUTLIER -105.22 4.02 30.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.138 -179.819 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.429 ' HG2' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -48.02 -28.02 2.57 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.785 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.13 -27.0 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.972 179.749 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -86.44 -32.12 21.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.115 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.702 ' CG2' HD12 ' A' ' 46' ' ' ILE . 9.2 tp -65.44 -50.28 73.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.041 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.728 ' HB2' HD22 ' A' ' 121' ' ' LEU . 6.3 p -57.12 -36.3 70.51 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.252 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.9 -31.75 64.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.4 178.514 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.702 ' CE1' HG21 ' A' ' 113' ' ' ILE . 67.7 t80 -73.5 -44.15 58.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.352 179.312 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.684 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 3.8 mp -58.98 -29.57 67.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.781 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 107' ' ' CYS . 46.9 t -92.38 -29.35 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.46 -41.48 72.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.894 HD11 HD22 ' A' ' 115' ' ' LEU . 8.9 pt -89.85 -25.56 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.179 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.44 28.82 8.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.798 -179.274 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.894 HD22 HD11 ' A' ' 113' ' ' ILE . 4.3 tp -76.79 -71.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.802 -179.839 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.684 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -91.35 -178.35 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 179.563 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.19 153.77 27.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.673 179.621 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.428 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 6.7 p-10 -59.64 -29.06 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -23.72 39.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.281 179.25 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 122' ' ' LYS . 13.1 mt-30 -91.22 -3.52 56.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.879 179.45 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.728 HD22 ' HB2' ' A' ' 107' ' ' CYS . 29.4 mt -57.32 86.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.985 0.421 . . . . 0.0 111.029 -179.693 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 120' ' ' GLN . 14.0 mmtt -109.21 80.2 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.373 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 123' ' ' VAL . 12.7 p -92.78 125.83 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.863 -179.245 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.508 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 12.9 m-70 -136.27 42.6 2.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.539 179.492 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.491 ' HA2' ' HB ' ' A' ' 48' ' ' ILE . . . -58.32 87.75 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.805 -179.544 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.999 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 ttm . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.809 0.337 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.2 mmm-85 -65.36 -35.95 82.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.82 147.05 5.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -97.95 40.21 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 -73.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -172.3 -44.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -64.91 168.42 6.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.32 -64.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.08 -178.46 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -59.53 -60.52 3.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.982 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.27 102.26 11.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -60.22 116.13 16.25 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.07 -27.43 21.77 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.416 2.077 . . . . 0.0 112.375 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.31 -9.29 59.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.369 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.7 p -65.69 -42.7 90.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 0.0 110.971 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.65 75.35 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 mt -91.54 150.4 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -100.07 97.69 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -149.9 77.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 20' ' ' LEU . 1.1 tm? -169.66 81.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -145.13 70.35 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -130.18 61.0 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.55 138.45 54.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 t70 60.31 87.41 0.14 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.04 -22.33 38.62 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.611 2.207 . . . . 0.0 112.362 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -113.54 46.25 1.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.958 -179.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.45 78.57 4.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -84.24 141.78 30.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.58 100.72 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.053 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -169.8 -59.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.851 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -153.25 120.84 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.5 -73.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.79 70.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -109.11 44.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.4 tp -106.91 86.63 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 mt 61.74 152.97 0.11 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.22 117.82 3.46 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.677 2.251 . . . . 0.0 112.442 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.75 130.4 38.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.93 28.17 35.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -95.82 -29.93 13.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 63.31 13.85 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.547 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 46.96 61.43 2.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.904 0.383 . . . . 0.0 111.24 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.478 ' CD1' ' HA ' ' A' ' 120' ' ' GLN . 17.0 m-30 -61.5 175.74 0.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.461 HG12 ' HB3' ' A' ' 120' ' ' GLN . 29.7 mm -114.64 101.06 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.272 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.483 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -64.5 143.07 58.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.186 -179.003 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.578 HG13 HG22 ' A' ' 60' ' ' VAL . 1.2 mp -137.21 103.58 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.267 178.759 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.9 mmm-85 -123.32 138.31 54.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 0.0 111.847 -178.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.696 HG23 HG22 ' A' ' 56' ' ' THR . 20.0 mt -92.84 154.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.855 179.379 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.422 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 1.3 pt20 -139.22 92.43 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.487 179.163 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.548 ' HG3' HG23 ' A' ' 56' ' ' THR . 3.0 tt0 -92.96 116.63 29.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.561 -179.242 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.08 126.12 37.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.169 179.307 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.71 21.64 11.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.733 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.65 35.53 92.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.733 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' THR . 50.2 mtt-85 -153.57 -64.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.681 0.24 . . . . 0.0 111.392 179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.06 81.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.591 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.734 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -83.91 140.68 31.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.398 -179.419 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.823 HD23 ' HG2' ' A' ' 97' ' ' GLN . 1.4 mp -145.74 116.29 7.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.198 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -92.47 128.66 38.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 111.347 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.891 HG23 ' HG3' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -109.69 149.66 29.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.06 179.715 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.578 HG22 HG13 ' A' ' 46' ' ' ILE . 71.4 t -123.8 123.82 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.65 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.739 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -114.74 139.83 49.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.527 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.03 -28.3 8.09 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.079 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.909 HG23 ' CE2' ' A' ' 67' ' ' TYR . 4.6 mm -61.16 147.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.691 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.674 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -90.28 129.29 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.486 -179.352 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -57.93 -21.45 43.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.558 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -26.22 68.21 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.909 ' CE2' HG23 ' A' ' 63' ' ' ILE . 7.0 m-30 -48.45 172.43 0.01 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.811 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' LEU . 10.3 t0 -80.05 62.56 4.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.079 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' HA ' ' HB2' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -30.37 -55.58 0.19 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.22 -179.446 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -48.32 -48.14 36.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HA ' ' HB3' ' A' ' 74' ' ' LYS . 17.4 mttm -89.61 -14.96 33.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.529 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.908 HD21 HD21 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -58.44 -45.54 88.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.762 0.315 . . . . 0.0 111.053 -179.7 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.891 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -101.43 -30.89 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.153 179.613 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 71' ' ' LYS . 0.7 OUTLIER -60.22 -42.94 96.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.499 179.821 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.3 75.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 0.0 110.284 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.681 ' CD2' HD22 ' A' ' 98' ' ' LEU . 13.0 t80 -60.36 -43.71 96.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.379 179.35 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -65.64 -15.47 62.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.307 179.823 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -95.72 -18.93 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.358 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -103.97 -37.62 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.671 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 6.1 m-85 -114.45 -16.82 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.479 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 67.47 35.28 4.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.985 0.421 . . . . 0.0 110.636 -179.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.1 m -113.05 157.24 21.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.717 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.28 113.73 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.52 113.34 3.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.296 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 96' ' ' ILE . 30.8 p -118.71 155.98 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 111.273 -179.644 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.59 ' HA ' HD13 ' A' ' 96' ' ' ILE . 13.9 p -103.39 121.47 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.533 HG13 HG23 ' A' ' 95' ' ' VAL . 2.3 pt -128.7 147.24 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.826 0.346 . . . . 0.0 111.342 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -101.9 74.18 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.051 0.453 . . . . 0.0 110.259 179.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.444 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.6 t-80 -53.43 142.91 38.45 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.522 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 86.4 Cg_endo -81.61 -27.63 2.58 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.682 2.255 . . . . 0.0 112.418 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.34 -20.36 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.255 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.413 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 1.5 m-85 -119.44 -49.8 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.165 -179.629 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.41 101.8 1.3 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.649 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 64.94 94.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 111.228 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.739 HG12 ' HA ' ' A' ' 61' ' ' GLN . 28.8 m -144.7 151.31 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.891 HD12 ' CG1' ' A' ' 73' ' ' VAL . 1.5 mm -96.46 124.97 49.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.252 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.891 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.2 tt0 -100.49 110.1 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.81 -179.086 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.922 HD11 HD13 ' A' ' 106' ' ' ILE . 3.6 mt -93.59 159.67 15.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.707 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.74 143.16 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.941 0.4 . . . . 0.0 111.266 -179.604 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.94 169.91 25.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.428 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.432 ' HA ' HD13 ' A' ' 48' ' ' ILE . 4.4 p-10 -68.81 92.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.618 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.461 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -106.82 6.78 29.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.581 -179.637 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -44.83 -29.56 0.82 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.709 0.29 . . . . 0.0 111.592 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -101.52 -20.8 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.268 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -87.93 -38.23 15.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.441 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.922 HD13 HD11 ' A' ' 98' ' ' LEU . 5.4 tp -66.73 -49.92 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.374 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.78 ' HB2' HD22 ' A' ' 121' ' ' LEU . 7.2 p -53.12 -34.42 56.63 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.592 0.711 . . . . 0.0 109.173 178.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -66.42 -51.5 56.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.978 178.786 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.799 ' CE2' HD13 ' A' ' 113' ' ' ILE . 67.3 t80 -52.57 -54.38 33.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.267 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.707 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 6.0 mp -54.44 -28.77 46.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.021 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.562 HG21 HD11 ' A' ' 121' ' ' LEU . 62.0 t -93.32 -24.67 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.201 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 108' ' ' GLN . 3.5 mm-40 -79.02 -45.77 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.871 HD11 HD22 ' A' ' 115' ' ' LEU . 12.5 pt -83.79 -15.24 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.441 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.69 32.31 18.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.56 -179.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.908 HD21 HD21 ' A' ' 72' ' ' LEU . 6.1 tp -80.84 -74.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.659 0.266 . . . . 0.0 111.143 -179.509 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.707 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -83.76 -163.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.322 179.545 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.76 146.9 46.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.324 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -57.91 -32.02 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 0.0 110.526 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.0 -27.26 43.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.154 179.122 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.478 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 32.3 mt-30 -81.48 -11.29 59.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.174 179.586 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 107' ' ' CYS . 64.1 mt -52.17 91.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.042 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.07 75.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.962 -179.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 123' ' ' VAL . 11.5 p -86.7 118.84 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.427 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 69.4 m-70 -114.94 -31.16 6.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.366 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 62.57 -115.41 7.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.277 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.759 0.314 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -140.39 70.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.12 -65.17 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.531 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.1 p -139.35 -175.86 4.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 59.33 88.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.82 -175.21 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -110.17 105.14 14.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -136.48 31.7 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -171.69 119.34 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -98.69 69.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.5 m -97.02 -13.25 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.277 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 63.59 65.12 1.28 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.868 0.366 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.77 -25.36 60.46 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.585 2.19 . . . . 0.0 112.26 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.6 mtm -56.47 -28.63 60.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.027 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.1 p -58.83 -29.58 67.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.65 53.01 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.3 mt -142.76 59.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -70.83 -165.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.805 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 71.43 -63.6 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 mp 63.26 55.71 1.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.983 0.42 . . . . 0.0 110.762 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -89.31 174.33 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.809 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -159.99 -174.82 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -157.68 134.55 9.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -134.13 64.6 66.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.84 -27.63 54.11 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -111.13 -81.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.889 -179.899 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 26' ' ' PHE . . . 177.0 122.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -96.9 -65.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.9 91.61 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.77 148.38 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -171.23 35.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.772 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.65 -132.73 8.84 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.402 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -170.01 36.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.99 85.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 tp -118.32 70.52 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 mp -71.54 157.69 89.38 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -51.72 135.46 49.31 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.661 2.24 . . . . 0.0 112.288 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -109.46 150.32 28.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -143.36 -94.94 0.2 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.621 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.419 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 6.0 p -106.44 -13.48 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.596 0.236 . . . . 0.0 111.394 -179.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 64.66 16.27 10.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.652 0.263 . . . . 0.0 111.315 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 t0 53.57 77.63 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.916 0.389 . . . . 0.0 110.547 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.572 ' O ' HD13 ' A' ' 44' ' ' ILE . 13.9 m-30 -82.59 173.96 11.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.602 -179.278 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 43' ' ' TYR . 50.6 mm -131.49 82.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.322 179.406 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.553 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.2 OUTLIER -52.79 139.17 27.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.524 -178.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.673 HD12 ' CG2' ' A' ' 106' ' ' ILE . 24.4 mm -99.68 -99.73 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.929 178.544 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' N ' HG22 ' A' ' 46' ' ' ILE . 1.3 tmt_? 86.58 123.38 0.03 OUTLIER 'General case' 0 C--N 1.345 0.401 0 CA-C-O 121.182 0.515 . . . . 0.0 112.285 178.647 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.518 ' CG2' HG22 ' A' ' 56' ' ' THR . 8.4 mt -105.26 155.54 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.281 179.087 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.2 pt20 -138.26 99.14 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.918 0.39 . . . . 0.0 110.684 179.497 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.466 ' HG3' ' CB ' ' A' ' 56' ' ' THR . 2.1 tt0 -97.52 113.2 24.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.221 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.23 121.36 36.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.38 179.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.5 t30 73.46 22.69 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.54 44.97 97.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.545 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -171.74 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -72.48 63.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.683 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.518 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -72.7 134.27 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 98' ' ' LEU . 2.4 mt -144.17 99.39 3.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.5 m -72.65 135.44 45.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -117.22 153.59 32.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 111.315 179.846 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.486 ' CG2' HG12 ' A' ' 106' ' ' ILE . 61.8 t -123.4 121.51 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.095 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.592 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -118.42 140.06 50.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.493 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.47 -24.83 13.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.274 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.859 HG23 ' CD2' ' A' ' 67' ' ' TYR . 3.2 mm -69.08 146.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -80.28 141.6 35.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -68.97 -10.64 58.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.19 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -94.31 26.27 3.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.488 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.859 ' CD2' HG23 ' A' ' 63' ' ' ILE . 5.5 m-30 -87.97 31.78 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.562 0.22 . . . . 0.0 111.275 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t70 78.19 -11.5 1.2 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.733 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.9 -79.73 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.661 0.267 . . . . 0.0 111.259 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -52.37 -66.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.123 -179.823 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -47.45 -26.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.434 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 115' ' ' LEU . 1.0 OUTLIER -63.49 -69.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.214 -179.934 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.59 HG21 ' C ' ' A' ' 84' ' ' GLY . 8.1 p -82.7 -38.36 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.645 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.01 -43.95 40.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.97 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -62.18 -31.92 72.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 179.513 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 98' ' ' LEU . 5.9 t80 -60.64 -45.63 93.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.493 179.617 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -10.39 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -105.71 -20.45 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.679 0.276 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.475 ' CD ' ' CZ ' ' A' ' 80' ' ' PHE . 1.2 tmtm? -95.54 -39.02 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.299 -179.771 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.554 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 11.1 m-85 -112.38 -21.41 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.445 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.8 33.3 0.62 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.892 0.377 . . . . 0.0 110.591 -179.459 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.1 m -104.81 -167.3 1.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.75 119.22 29.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.654 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.59 ' C ' HG21 ' A' ' 73' ' ' VAL . . . -125.94 139.96 11.81 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.658 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.3 p -123.3 177.54 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 111.26 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.6 p -124.87 84.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.056 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.75 153.99 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.05 0.452 . . . . 0.0 111.533 -179.592 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -105.12 74.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.33 179.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.44 ' CG ' ' HD2' ' A' ' 90' ' ' PRO . 2.5 t-80 -56.3 143.05 66.43 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.381 -179.476 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 89' ' ' HIS . 84.2 Cg_endo -82.16 -27.46 2.37 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.639 2.226 . . . . 0.0 112.307 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -80.94 -21.53 40.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.224 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.428 ' CD2' ' OE1' ' A' ' 61' ' ' GLN . 1.3 m-85 -119.31 -47.64 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.12 -179.613 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.73 104.63 1.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.672 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 57.29 93.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 61' ' ' GLN . 31.2 m -145.04 144.12 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.522 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -73.71 157.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.445 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.435 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -135.15 97.47 3.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.786 0.327 . . . . 0.0 111.473 -179.221 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.05 HD11 HD13 ' A' ' 106' ' ' ILE . 3.6 mt -85.93 156.38 20.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.328 179.135 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -91.77 143.78 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.178 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.68 176.73 45.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.23 84.06 5.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 110.592 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.489 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -96.03 12.37 30.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.161 -179.784 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -47.7 -28.58 2.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.45 -21.18 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -89.2 -37.3 15.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.149 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 1.05 HD13 HD11 ' A' ' 98' ' ' LEU . 4.8 tp -63.86 -52.0 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.027 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.727 ' HB2' HD22 ' A' ' 121' ' ' LEU . 11.2 p -57.77 -32.5 67.56 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.097 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -70.35 -37.05 74.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.464 178.601 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.864 ' CE2' HD13 ' A' ' 113' ' ' ILE . 73.8 t80 -69.17 -47.51 64.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.236 179.092 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 116' ' ' ALA . 5.6 mp -52.61 -33.01 44.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.891 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.87 -37.47 8.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 109.785 179.247 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 109' ' ' PHE . 1.2 tt0 -61.47 -26.48 67.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.011 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.881 HD11 HD22 ' A' ' 115' ' ' LEU . 7.0 pt -109.86 -27.61 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 111.533 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 101.3 23.19 9.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.985 -179.419 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.881 HD22 HD11 ' A' ' 113' ' ' ILE . 3.3 tp -73.73 -72.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.74 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.665 ' CB ' HD23 ' A' ' 110' ' ' LEU . . . -95.16 166.27 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' CB ' ' HG3' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -100.88 152.39 20.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.724 0.297 . . . . 0.0 110.453 179.699 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 5.7 p-10 -57.33 -27.17 61.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.77 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 -26.16 41.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.455 ' HA ' ' HA ' ' A' ' 43' ' ' TYR . 10.4 mt-30 -85.39 -15.54 42.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.145 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.727 HD22 ' HB2' ' A' ' 107' ' ' CYS . 50.5 mt -49.86 110.14 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.633 -179.379 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.473 ' HG3' ' HB3' ' A' ' 43' ' ' TYR . 1.3 mmmm -132.83 80.41 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.742 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.469 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 10.2 p -87.38 121.55 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 -179.368 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.553 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 43.5 m-70 -123.46 75.01 1.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.123 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.76 120.64 23.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.247 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.295 -0.859 . . . . 0.0 111.372 -179.743 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.844 0.354 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -115.45 31.39 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.52 -153.47 13.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 p -60.46 124.64 20.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -158.85 126.72 5.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 129.88 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -85.65 139.34 31.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.0 171.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.3 m80 59.98 65.4 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -107.88 -33.65 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.39 176.95 2.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -156.3 82.17 3.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.76 -28.8 39.66 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.575 2.183 . . . . 0.0 112.249 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.546 ' HA ' HD11 ' A' ' 17' ' ' ILE . 1.2 ttt -63.11 -21.58 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.9 p -53.06 -29.46 30.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -152.3 92.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 14' ' ' MET . 24.0 mt -106.39 142.29 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.866 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -115.15 117.73 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -163.53 83.79 0.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' C ' ' CG ' ' A' ' 21' ' ' HIS . 4.8 mp -96.34 -19.58 19.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.443 ' CG ' ' C ' ' A' ' 20' ' ' LEU . 1.2 p-80 44.15 91.87 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.365 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -121.84 176.1 5.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.931 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -101.12 172.93 6.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.742 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.35 83.59 0.31 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.795 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.434 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 31.7 Cg_exo -59.58 -32.63 96.38 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.55 2.167 . . . . 0.0 112.395 -179.865 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE1' ' HB2' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -126.13 -52.48 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.788 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.46 38.22 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.057 -179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -61.68 125.84 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.82 121.88 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.037 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.65 75.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -92.34 -38.14 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 126.98 61.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.467 ' HA ' HD21 ' A' ' 36' ' ' LEU . 1.7 m-20 -127.7 30.41 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.88 -38.38 23.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.0 tp -125.23 97.47 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 33' ' ' ASP . 5.8 mt -100.42 151.46 37.56 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.82 87.02 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.652 2.235 . . . . 0.0 112.303 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.8 94.07 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.26 -70.65 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.618 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -106.25 -33.81 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 111.003 -179.906 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 54.75 21.65 3.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.477 -179.904 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.76 61.25 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.078 0.466 . . . . 0.0 111.028 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 41' ' ' GLU . 18.6 m-30 -66.75 166.06 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.038 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.554 HD13 ' HA3' ' A' ' 62' ' ' GLY . 49.3 mm -118.13 106.85 20.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.204 179.425 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.76 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -67.05 143.47 56.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.375 -178.819 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.76 HD12 ' O ' ' A' ' 45' ' ' HIS . 1.6 mp -140.26 101.36 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.114 178.647 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -126.91 149.69 49.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.302 0.572 . . . . 0.0 112.259 -178.612 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.816 HG23 HG22 ' A' ' 56' ' ' THR . 40.3 mt -101.87 153.43 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.448 179.223 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.484 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 4.4 pt20 -132.9 82.73 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.212 0.53 . . . . 0.0 110.416 178.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.725 ' CG ' HG23 ' A' ' 56' ' ' THR . 1.7 tt0 -96.52 125.85 41.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.733 -179.681 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' ARG . 31.9 mtp85 -91.58 121.42 33.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.067 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.2 t30 55.57 26.5 9.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.97 -4.96 84.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.387 -179.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 4.9 mtp180 -119.86 -171.13 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.709 0.29 . . . . 0.0 110.694 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.83 78.27 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.19 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.816 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -90.48 131.69 36.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.514 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 98' ' ' LEU . 4.9 mt -137.22 94.29 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.027 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 48' ' ' ILE . 53.3 m -68.61 142.37 55.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.397 -179.741 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.42 ' CG2' ' HG3' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -125.87 143.88 50.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.742 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.518 ' CG2' HG12 ' A' ' 106' ' ' ILE . 59.3 t -118.84 124.57 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.499 ' HG3' ' HB3' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -118.9 138.54 52.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.453 179.69 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.554 ' HA3' HD13 ' A' ' 44' ' ' ILE . . . 115.63 -26.82 8.74 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.104 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.876 HG23 ' CE2' ' A' ' 67' ' ' TYR . 11.3 mm -63.19 144.08 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.604 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -85.3 131.7 34.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.242 -179.705 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -60.94 -19.07 60.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.73 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.18 -21.26 65.8 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.876 ' CE2' HG23 ' A' ' 63' ' ' ILE . 6.8 m-30 -48.9 172.78 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.744 0.306 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -52.56 -26.69 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -179.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.69 -76.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.756 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -61.2 2.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.322 179.42 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -22.4 63.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.681 179.338 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.754 ' HG ' HD21 ' A' ' 115' ' ' LEU . 1.8 tt -56.12 -64.24 0.92 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.88 ' CG1' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -86.75 -27.62 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.27 179.829 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -43.18 85.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.921 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.51 ' HB3' ' HZ ' ' A' ' 109' ' ' PHE . . . -67.18 -31.96 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -59.12 -54.94 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -59.26 -18.06 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.408 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -96.31 -20.31 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.606 0.241 . . . . 0.0 111.418 -179.684 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -101.93 -31.0 10.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.606 -179.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.494 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 29.6 m-85 -115.75 -17.0 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.492 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 72.09 28.01 2.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.586 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 22.9 m -104.29 -166.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.67 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.08 118.14 30.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.397 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.11 118.48 4.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.389 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.5 p -125.3 143.6 50.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 111.194 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.629 HG13 HG12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -97.92 101.94 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 179.655 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.706 HD12 ' HB2' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -113.65 154.92 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.941 0.4 . . . . 0.0 111.296 -179.818 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -97.44 75.01 2.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.346 179.407 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.416 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -49.64 140.37 14.56 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.38 -179.672 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.43 -21.02 10.57 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.532 2.155 . . . . 0.0 112.24 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.3 OUTLIER -80.89 -23.57 38.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.496 ' CD2' HG11 ' A' ' 95' ' ' VAL . 1.3 m-85 -119.06 -49.1 2.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.17 -179.47 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 94' ' ' GLU . . . 116.16 -15.74 15.6 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.946 179.809 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 93' ' ' GLY . 15.0 tt0 177.15 111.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.68 0.276 . . . . 0.0 110.581 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.587 ' O ' HD13 ' A' ' 87' ' ' ILE . 29.9 m -155.54 155.99 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 0.0 111.359 -179.778 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.88 HD12 ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -90.98 122.07 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.063 179.402 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.706 ' HB2' HD12 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -96.66 116.53 29.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.718 -179.047 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.764 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.2 mt -103.43 158.52 16.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.808 178.801 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.88 130.83 44.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.893 0.377 . . . . 0.0 110.786 179.735 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.45 162.11 36.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.176 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.422 ' HA ' ' CD1' ' A' ' 48' ' ' ILE . 16.7 p30 -67.46 77.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.516 ' O ' HG22 ' A' ' 106' ' ' ILE . 10.8 mm-40 -84.7 1.55 45.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.466 -179.639 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -29.23 0.27 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.775 0.322 . . . . 0.0 111.635 -179.828 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -23.08 13.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.222 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 108' ' ' GLN . 16.2 m-80 -89.92 -37.82 14.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.433 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.673 HD13 HD11 ' A' ' 98' ' ' LEU . 6.6 tp -63.56 -49.8 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.68 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.646 ' HB2' HD22 ' A' ' 121' ' ' LEU . 5.5 p -55.32 -33.36 63.25 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.101 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 105' ' ' ASN . 7.1 mm100 -68.9 -48.08 64.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.714 178.483 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.9 ' CE2' HD13 ' A' ' 113' ' ' ILE . 74.7 t80 -59.76 -50.49 73.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.704 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 6.6 mp -53.97 -30.32 46.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 107' ' ' CYS . 86.1 t -93.27 -27.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.163 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.22 -41.36 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.922 HD11 HD22 ' A' ' 115' ' ' LEU . 11.2 pt -88.84 -26.33 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.42 -179.874 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.01 30.9 6.48 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 -179.456 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 113' ' ' ILE . 3.5 tp -80.32 -70.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 110.633 -179.822 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -91.33 -167.59 1.84 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.513 179.404 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 155.72 45.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.627 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.425 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 2.7 p30 -62.44 -28.26 69.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.983 0.42 . . . . 0.0 110.362 179.806 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -79.48 -21.81 44.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.117 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.438 ' HB3' HG12 ' A' ' 44' ' ' ILE . 9.7 mt-30 -97.83 -1.81 42.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.082 179.654 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.646 HD22 ' HB2' ' A' ' 107' ' ' CYS . 21.1 mt -59.22 87.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.791 0.329 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -104.28 73.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.757 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.1 p -78.33 122.03 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.313 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.458 ' NE2' ' CE1' ' A' ' 45' ' ' HIS . 90.2 m-70 -126.36 63.7 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -54.66 120.16 15.57 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.241 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.412 ' CZ ' ' OE1' ' A' ' 50' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.209 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.844 0.354 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.6 82.64 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.89 -107.19 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 t -150.73 -171.19 3.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -139.49 108.58 6.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -147.74 37.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 62.74 74.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -107.05 29.79 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.802 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -86.21 157.87 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.955 -179.871 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -98.26 175.2 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.89 -46.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -134.29 82.72 46.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.1 -29.37 27.11 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.565 2.177 . . . . 0.0 112.243 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 mtm -58.33 -24.33 59.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -41.85 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.38 88.74 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.044 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.6 mt -100.08 116.85 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -61.86 143.86 55.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -168.77 105.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 tp -170.5 106.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.7 -53.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.7 p -70.14 123.39 21.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -89.63 116.77 28.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -107.28 103.62 49.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -55.21 -22.12 31.21 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.441 2.094 . . . . 0.0 112.468 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -97.8 38.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -166.43 42.57 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -108.8 -41.39 4.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.83 153.53 26.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 t -175.96 131.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -173.91 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.979 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.05 -40.58 1.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.581 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -111.79 41.75 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.783 0.325 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -87.59 55.79 3.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.24 75.97 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.9 mt 60.14 160.61 0.1 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.4 140.02 63.98 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.06 103.58 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.1 -137.59 9.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.61 79.9 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 43' ' ' TYR . 16.0 mt-10 -126.95 -31.86 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.2 68.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.937 0.399 . . . . 0.0 110.694 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.407 ' HB2' ' HG3' ' A' ' 122' ' ' LYS . 9.4 m-85 -71.72 175.57 5.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.187 -179.662 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.463 HG12 ' HB3' ' A' ' 120' ' ' GLN . 24.1 mm -110.4 103.53 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.727 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -74.51 131.76 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.825 -179.394 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.877 HG13 HG13 ' A' ' 123' ' ' VAL . 27.4 mm -92.19 -98.95 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.157 178.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 3.8 ttt180 85.14 126.59 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.286 0.565 . . . . 0.0 112.355 178.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.821 HG23 HG22 ' A' ' 56' ' ' THR . 3.1 mt -103.38 157.83 5.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.218 179.036 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.7 pt20 -140.76 94.83 2.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.999 0.428 . . . . 0.0 111.076 179.478 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.497 ' CG ' HG23 ' A' ' 56' ' ' THR . 1.0 OUTLIER -95.99 114.74 26.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.678 179.825 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -55.41 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.597 -179.401 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.72 22.68 9.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.709 0.29 . . . . 0.0 110.985 -179.754 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.1 14.35 60.69 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.299 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.46 ' N ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -139.82 -45.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.695 0.284 . . . . 0.0 111.046 -179.901 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -74.75 66.34 1.47 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.033 0.444 . . . . 0.0 110.423 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.821 HG22 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -74.18 143.0 45.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.209 -179.469 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 98' ' ' LEU . 2.4 mt -141.18 92.86 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.8 m -69.58 119.44 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.974 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -103.35 165.65 10.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.012 0.434 . . . . 0.0 111.162 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG2' HG12 ' A' ' 106' ' ' ILE . 41.6 t -134.23 117.54 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.265 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.863 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -111.41 141.05 45.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.277 179.474 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.7 -24.03 18.25 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.282 -179.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.829 HG23 ' CD2' ' A' ' 67' ' ' TYR . 5.1 mm -73.64 145.6 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 111.191 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -82.49 138.84 34.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -66.55 -12.35 57.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.42 24.34 3.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.461 -179.85 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.967 ' CB ' HD21 ' A' ' 72' ' ' LEU . 4.9 m-30 -85.14 23.35 1.27 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.489 179.72 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 26.8 t0 80.91 -17.75 0.55 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 tttt 64.37 -73.93 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.676 0.274 . . . . 0.0 111.349 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -51.67 -47.06 63.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.26 -179.825 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -58.21 -13.93 6.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.622 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.967 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -97.33 -58.46 2.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.581 0.229 . . . . 0.0 111.049 -179.814 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.559 HG22 ' HA3' ' A' ' 84' ' ' GLY . 3.4 t -79.36 -50.92 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -52.49 -43.28 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.026 0.441 . . . . 0.0 110.076 179.666 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.32 -48.7 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.374 179.117 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.659 ' CD2' HD22 ' A' ' 98' ' ' LEU . 14.6 t80 -46.55 -46.93 19.68 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.978 179.493 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 3.1 mtpm? -62.81 -24.46 67.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -85.03 -18.21 35.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.27 -179.726 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -104.56 -35.97 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.057 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 109' ' ' PHE . 6.3 m-85 -118.93 -10.68 9.83 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 77' ' ' LYS . . . 62.46 32.36 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.655 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 77' ' ' LYS . 18.6 m -107.82 157.71 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.593 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.06 122.5 29.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.629 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.559 ' HA3' HG22 ' A' ' 73' ' ' VAL . . . -113.32 128.03 8.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.232 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.8 p -129.54 115.43 17.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.402 . . . . 0.0 111.487 -179.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 86' ' ' VAL . 10.1 p -75.04 111.75 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.853 179.614 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.39 159.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.986 0.422 . . . . 0.0 111.389 -179.781 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -108.95 71.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.401 179.445 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 1.9 t-80 -54.71 135.36 64.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.238 -179.523 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.56 -17.83 14.11 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.57 2.18 . . . . 0.0 112.248 179.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.472 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -82.18 -24.2 35.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.2 m-85 -123.5 -52.17 1.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.664 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.17 105.2 2.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.631 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 58.42 90.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.863 HG12 ' HA ' ' A' ' 61' ' ' GLN . 27.4 m -144.19 137.89 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.662 ' O ' HG22 ' A' ' 59' ' ' THR . 1.2 mm -71.92 157.55 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.966 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.657 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -133.66 95.46 3.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.808 0.337 . . . . 0.0 111.313 -179.402 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.029 HD11 HD13 ' A' ' 106' ' ' ILE . 8.4 mt -85.53 156.3 20.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.313 179.252 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.46 142.18 27.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.126 -179.728 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.16 177.07 51.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.449 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -80.29 75.39 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.013 0.435 . . . . 0.0 110.757 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.419 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.2 OUTLIER -89.77 9.07 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.07 179.96 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.846 ' HG2' HG12 ' A' ' 123' ' ' VAL . 7.0 tmm_? -48.2 -28.84 3.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -21.37 15.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -87.59 -33.82 18.74 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.733 0.301 . . . . 0.0 111.245 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 1.029 HD13 HD11 ' A' ' 98' ' ' LEU . 7.7 tp -65.82 -50.3 71.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.349 -179.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.608 ' HB2' HD22 ' A' ' 121' ' ' LEU . 21.9 p -52.3 -34.81 48.54 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.465 0.65 . . . . 0.0 109.271 178.717 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -67.05 -50.68 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.809 178.697 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.772 ' CE2' HD13 ' A' ' 113' ' ' ILE . 57.2 t80 -58.02 -40.8 81.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.653 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 5.0 mp -59.48 -32.08 69.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.773 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.8 t -95.99 -23.41 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.253 0.549 . . . . 0.0 110.316 179.19 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.604 ' HB2' ' HA ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -68.6 -44.14 74.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.929 179.692 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.977 HD11 HD22 ' A' ' 115' ' ' LEU . 4.5 pt -96.73 -26.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.52 -179.41 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.54 29.33 5.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.853 -179.444 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.977 HD22 HD11 ' A' ' 113' ' ' ILE . 2.0 tp -75.96 -72.86 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 -179.839 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.653 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -95.04 148.85 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.628 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 147.57 31.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.52 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.29 -31.69 22.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.966 0.413 . . . . 0.0 110.689 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -78.47 -28.04 46.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.099 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.463 ' HB3' HG12 ' A' ' 44' ' ' ILE . 29.5 mt-30 -80.61 -11.55 59.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.069 179.627 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.608 HD22 ' HB2' ' A' ' 107' ' ' CYS . 65.6 mt -52.34 87.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.89 0.376 . . . . 0.0 111.257 -179.592 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 120' ' ' GLN . 11.0 mmtt -108.29 88.58 2.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.291 179.727 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.877 HG13 HG13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -98.71 127.32 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.458 -179.327 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 45' ' ' HIS . 11.7 m-70 -134.85 68.74 1.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.256 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -57.04 120.05 18.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.156 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.271 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.796 0.331 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.88 151.53 23.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.76 35.37 51.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.566 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.48 -47.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 61.85 160.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -114.21 -1.48 13.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.415 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -93.67 15.8 15.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.683 0.278 . . . . 0.0 111.274 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 54.03 -171.67 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.76 0.314 . . . . 0.0 111.211 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.44 -60.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -96.72 99.87 11.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -66.6 -37.48 85.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.828 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -105.94 114.14 62.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.44 -22.55 38.86 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.421 2.08 . . . . 0.0 112.397 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.4 mmt -56.02 -23.95 36.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.188 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m -57.76 -46.67 84.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.73 94.56 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.1 mt -101.44 78.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.052 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 62.43 42.61 8.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -141.47 96.92 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -162.25 30.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -75.04 -31.15 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -92.95 58.13 2.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -165.36 107.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 59.39 69.66 1.26 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -62.02 -25.23 77.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.62 2.213 . . . . 0.0 112.169 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.27 39.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.787 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.8 84.03 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.49 84.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -165.51 129.0 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -64.56 140.6 58.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.09 34.29 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.5 112.94 2.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.63 81.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -99.21 31.99 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tp -81.9 89.9 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.32 145.19 63.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.34 89.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.498 2.132 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 62.04 118.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.23 80.72 1.06 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.457 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 17.1 p -146.41 18.25 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.678 0.275 . . . . 0.0 111.268 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 3.2 mt-10 47.96 26.1 0.9 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.65 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.6 t0 44.03 62.05 2.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.381 . . . . 0.0 111.397 179.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 41' ' ' GLU . 14.7 m-85 -66.78 175.28 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.571 HG21 HD11 ' A' ' 63' ' ' ILE . 19.3 mm -112.33 95.03 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.254 179.364 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 138.6 54.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.898 -179.15 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.992 HD13 HG22 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -142.48 106.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.525 179.324 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -127.55 150.12 49.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.164 0.506 . . . . 0.0 112.264 -178.636 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.686 ' CG2' HG22 ' A' ' 56' ' ' THR . 50.5 mt -102.88 157.37 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.476 179.331 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -140.72 93.73 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.409 179.296 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.537 ' HG3' HG23 ' A' ' 56' ' ' THR . 1.9 tt0 -92.34 111.54 23.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.234 -179.473 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -90.88 126.71 36.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.481 179.589 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 64.96 22.62 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.792 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.96 47.95 86.71 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.538 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 2.4 ptm180 -170.85 -44.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.283 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -72.16 65.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.001 0.429 . . . . 0.0 110.762 -179.902 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.686 HG22 ' CG2' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -74.76 131.35 40.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.745 -179.958 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.853 HD23 ' O ' ' A' ' 98' ' ' LEU . 4.6 mt -140.14 98.79 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.805 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.9 m -71.69 112.5 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -100.43 150.09 22.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.054 179.741 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.992 HG22 HD13 ' A' ' 46' ' ' ILE . 55.2 t -122.17 126.03 73.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.29 179.741 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.743 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -122.31 144.81 48.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.332 179.741 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.76 -26.16 18.65 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.161 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.872 HG23 ' CD2' ' A' ' 67' ' ' TYR . 2.8 mm -67.25 146.0 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.033 0.444 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.624 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . . . -79.54 137.98 37.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.093 179.836 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.98 -13.72 60.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.239 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -94.92 29.25 2.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.261 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.964 ' CB ' HD21 ' A' ' 72' ' ' LEU . 3.9 m-30 -88.28 24.56 1.85 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.415 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 67' ' ' TYR . 15.4 t0 81.64 -18.49 0.48 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.31 -74.82 0.05 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.795 0.331 . . . . 0.0 111.361 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 45.1 mttp -51.54 -42.38 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.472 -179.539 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.97 -1.29 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.018 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.964 HD21 ' CB ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -107.12 -70.03 0.81 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.654 0.264 . . . . 0.0 111.1 -179.654 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.437 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 4.1 p -78.13 -45.79 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.064 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -62.01 -44.43 96.74 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.23 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.062 178.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.606 ' CE1' HD21 ' A' ' 98' ' ' LEU . 16.6 t80 -48.18 -48.7 34.47 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.57 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -71.54 -4.62 27.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.743 -179.927 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.56 -21.51 13.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.725 179.754 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 5.6 tmtm? -88.24 -49.58 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.214 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.544 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -108.82 -16.34 14.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.626 -179.746 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.55 33.8 0.63 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.154 0.502 . . . . 0.0 110.324 -179.266 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 16.4 m -97.03 -174.57 3.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 99' ' ' GLN . 11.5 m120 -105.87 122.93 47.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.332 179.89 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.38 157.83 19.62 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.852 -179.502 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.6 p -153.43 150.54 28.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.828 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 86' ' ' VAL . 11.7 p -114.63 111.47 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.791 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.417 HG12 ' HB2' ' A' ' 97' ' ' GLN . 13.1 pt -123.84 163.72 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.436 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -112.92 76.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.927 178.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.0 t-80 -52.53 133.28 44.9 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.48 -179.38 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.94 -14.6 17.0 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.546 2.164 . . . . 0.0 112.347 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -85.12 -24.09 28.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.457 ' CE1' ' HB3' ' A' ' 91' ' ' GLU . 1.3 m-85 -126.17 -54.57 1.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.933 -179.753 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.74 -112.81 0.71 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.209 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.55 89.9 4.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.769 0.319 . . . . 0.0 110.686 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 61' ' ' GLN . 30.3 m -124.44 141.79 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.49 -179.672 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.658 ' O ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -74.26 159.98 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.631 179.257 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.639 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -133.29 82.11 1.97 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.883 0.373 . . . . 0.0 111.437 -179.486 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.853 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -65.68 167.11 9.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.057 179.109 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.453 ' CB ' ' HB2' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -109.75 130.95 55.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.748 179.701 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.412 ' HA2' ' HB ' ' A' ' 56' ' ' THR . . . 88.16 178.63 47.22 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.971 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.489 ' HA ' HD13 ' A' ' 48' ' ' ILE . 19.2 p30 -80.24 73.75 7.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.959 0.409 . . . . 0.0 110.385 179.566 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.442 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -89.3 7.31 36.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.275 -179.558 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -28.37 1.92 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.027 0.441 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -92.64 -27.6 17.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.737 179.504 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -82.6 -39.11 22.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.52 HG23 ' N ' ' A' ' 107' ' ' CYS . 8.9 tp -65.48 -49.74 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.822 ' SG ' HD22 ' A' ' 121' ' ' LEU . 34.0 t -56.72 -35.22 68.29 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.033 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -33.07 64.09 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.45 178.561 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.797 ' CE2' HD13 ' A' ' 113' ' ' ILE . 67.6 t80 -72.2 -45.15 61.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.333 179.423 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.426 HD23 ' HB3' ' A' ' 116' ' ' ALA . 4.8 mp -58.84 -29.48 66.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.753 179.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 107' ' ' CYS . 52.3 t -92.44 -28.95 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.051 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.75 -43.82 68.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.825 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.916 HD11 HD22 ' A' ' 115' ' ' LEU . 6.0 pt -89.82 -21.87 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.335 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 90.01 34.31 8.35 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.548 -179.081 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.916 HD22 HD11 ' A' ' 113' ' ' ILE . 4.7 tp -76.97 -73.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.727 0.299 . . . . 0.0 111.141 -179.582 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.426 ' HB3' HD23 ' A' ' 110' ' ' LEU . . . -93.53 159.78 15.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.544 179.735 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -82.89 145.74 29.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.392 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.418 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 1.8 m-20 -53.17 -32.45 47.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.576 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -79.45 -28.47 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.047 179.139 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.422 ' HB3' HG12 ' A' ' 44' ' ' ILE . 33.2 mt-30 -80.11 -8.63 59.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.236 179.496 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.822 HD22 ' SG ' ' A' ' 107' ' ' CYS . 84.5 mt -56.29 88.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.997 0.427 . . . . 0.0 111.077 -179.641 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.435 ' HE3' ' CD2' ' A' ' 43' ' ' TYR . 2.2 mmtt -104.48 78.98 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.769 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.84 112.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -114.33 70.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.261 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.68 120.51 14.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.234 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.47 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.81 0.338 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -122.13 74.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.11 -164.8 17.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 p -169.48 -55.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.37 86.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -64.53 171.12 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -66.74 85.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.592 ' NE2' HG21 ' A' ' 11' ' ' THR . 15.1 t60 -113.64 -35.8 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 61.2 166.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.98 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -59.86 113.72 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.592 HG21 ' NE2' ' A' ' 8' ' ' HIS . 70.6 p -92.77 164.64 13.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -157.3 71.53 4.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.78 -13.55 37.19 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.633 2.222 . . . . 0.0 112.546 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.517 ' HA ' HD11 ' A' ' 17' ' ' ILE . 23.9 mtt -88.14 9.44 22.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.43 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 t -108.91 34.45 3.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.746 0.308 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.44 37.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 14' ' ' MET . 24.7 mt -91.49 137.93 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -79.44 145.72 33.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -103.96 33.42 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.35 -176.5 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.7 m170 62.02 151.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.93 133.83 50.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -142.17 149.9 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.3 108.12 1.14 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.31 -27.03 71.57 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.499 2.133 . . . . 0.0 112.187 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -98.04 -49.69 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.744 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.74 87.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.02 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.05 75.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -175.34 -173.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.7 m -163.89 81.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.22 114.13 21.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.18 -22.68 56.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.596 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 64.1 63.83 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -65.68 -27.61 68.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.78 141.07 45.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.7 120.08 59.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.49 -44.63 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.392 2.061 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.13 130.78 56.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.88 -134.98 3.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -109.17 -16.58 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.609 0.242 . . . . 0.0 111.277 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 43' ' ' TYR . 2.2 mm-40 67.17 11.16 8.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.427 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.7 61.91 2.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.971 0.415 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.481 ' HB3' ' HG2' ' A' ' 122' ' ' LYS . 20.4 m-30 -62.6 166.66 5.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.752 HG21 ' CD2' ' A' ' 110' ' ' LEU . 0.3 OUTLIER -107.01 79.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 109.448 179.164 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.497 ' NE2' ' NE2' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -62.31 113.17 2.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.969 -178.748 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.734 HD12 ' CG2' ' A' ' 106' ' ' ILE . 16.8 mm -74.7 -93.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.485 178.789 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 79.71 121.65 0.05 OUTLIER 'General case' 0 C--N 1.342 0.27 0 CA-C-O 121.101 0.476 . . . . 0.0 112.0 178.776 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.67 HG23 HG22 ' A' ' 56' ' ' THR . 14.1 mt -97.25 156.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.406 179.271 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.441 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 2.6 pt20 -141.05 98.53 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 179.196 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.479 ' HB2' ' CE2' ' A' ' 126' ' ' PHE . 2.9 tt0 -95.7 125.18 40.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.495 -179.313 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.52 130.04 54.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.365 179.465 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.1 t30 66.0 20.92 11.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.904 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.56 45.75 93.97 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.858 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.0 -37.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.68 0.276 . . . . 0.0 111.533 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -74.83 66.45 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 110.745 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.67 HG22 HG23 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -76.14 135.84 39.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.99 -179.864 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.809 HD23 ' O ' ' A' ' 98' ' ' LEU . 3.9 mt -141.09 100.77 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.41 HG23 ' CG2' ' A' ' 46' ' ' ILE . 84.3 m -75.42 115.53 15.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -99.42 160.99 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.309 -179.804 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.436 HG13 HG23 ' A' ' 44' ' ' ILE . 45.0 t -127.31 109.11 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.607 179.398 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.63 ' HA ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -86.05 55.0 3.34 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.026 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 63' ' ' ILE . . . -166.39 -144.97 4.28 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.607 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.028 HG21 HD11 ' A' ' 72' ' ' LEU . 0.8 OUTLIER 58.79 146.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.118 0.485 . . . . 0.0 110.867 179.604 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.64 155.89 18.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.301 -179.546 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.76 -18.96 61.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.237 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.47 35.46 1.34 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.988 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.966 ' CD2' HG23 ' A' ' 63' ' ' ILE . 3.7 m-30 -98.07 29.47 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.827 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' LYS . 2.5 t0 78.8 -10.5 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.003 179.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 60.15 -79.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.698 0.285 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' ASP . 6.0 mtpt -53.54 -64.74 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.552 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 1.5 ttpt -48.28 -24.63 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.67 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.028 HD11 HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -68.22 -79.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.084 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.448 HG22 ' HA3' ' A' ' 84' ' ' GLY . 3.6 p -83.86 -43.68 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.698 0.285 . . . . 0.0 111.715 -179.36 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 3.1 tmtm? -50.73 -42.18 57.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.825 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . -66.3 -34.58 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.309 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 8.5 t80 -53.47 -52.22 60.19 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.064 0.459 . . . . 0.0 110.601 179.757 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -63.02 -14.72 51.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.481 179.817 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -20.28 16.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.714 0.292 . . . . 0.0 111.074 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.453 ' HD3' ' CZ ' ' A' ' 80' ' ' PHE . 17.7 tttp -97.2 -36.92 10.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.542 -179.53 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.556 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 17.4 m-85 -112.9 -18.83 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -179.523 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . 75.61 28.56 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 -179.243 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 77' ' ' LYS . 23.0 m -100.45 -178.79 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.765 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.413 ' CB ' ' HB2' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -106.45 103.88 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 110.548 179.793 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.448 ' HA3' HG22 ' A' ' 73' ' ' VAL . . . -106.84 136.85 13.6 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.558 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.8 p -141.89 123.44 15.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.892 0.377 . . . . 0.0 111.463 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 86' ' ' VAL . 10.2 p -83.93 111.74 20.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.708 179.481 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.56 153.45 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 111.56 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -98.08 69.91 2.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.322 179.4 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.458 ' CE1' ' HB2' ' A' ' 91' ' ' GLU . 2.3 t-80 -49.37 133.71 17.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.388 -179.608 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.35 -18.03 16.24 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.474 2.116 . . . . 0.0 112.368 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.458 ' HB2' ' CE1' ' A' ' 89' ' ' HIS . 0.9 OUTLIER -85.59 -26.39 26.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.981 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.692 ' HD2' HG21 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -115.16 -53.63 2.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.945 -179.895 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.76 97.72 2.34 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.675 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 61.71 84.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.692 HG21 ' HD2' ' A' ' 92' ' ' TYR . 27.9 m -139.64 142.48 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.814 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -80.56 127.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.631 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.603 HE21 HD22 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -104.83 110.54 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.973 0.416 . . . . 0.0 111.867 -178.91 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.809 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.3 mp -95.15 165.86 12.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.629 178.7 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.413 ' HB2' ' CB ' ' A' ' 83' ' ' ASN . 6.4 mm-40 -105.92 139.2 40.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.83 -179.49 51.15 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.156 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.457 ' HA ' HD13 ' A' ' 48' ' ' ILE . 9.1 p-10 -78.97 84.67 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.413 ' N ' ' NE2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -103.37 9.88 37.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.343 -179.578 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.485 ' HA ' HG21 ' A' ' 46' ' ' ILE . 3.8 ptm180 -49.43 -28.76 5.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 0.0 111.061 -179.884 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -96.42 -22.0 17.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -86.2 -36.98 19.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.244 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.734 ' CG2' HD12 ' A' ' 46' ' ' ILE . 9.0 tp -66.56 -47.38 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.945 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.679 ' O ' HG23 ' A' ' 111' ' ' VAL . 26.7 p -55.21 -32.52 62.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.307 0.575 . . . . 0.0 109.539 178.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -69.54 -47.0 65.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.985 178.9 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.795 ' CE2' HD13 ' A' ' 113' ' ' ILE . 64.8 t80 -58.39 -56.83 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.085 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.752 ' CD2' HG21 ' A' ' 44' ' ' ILE . 6.9 mp -53.85 -27.7 31.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.68 ' CG2' HD11 ' A' ' 121' ' ' LEU . 65.7 t -92.85 -25.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.037 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 108' ' ' GLN . 3.8 mm-40 -79.09 -47.59 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.894 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 1.046 HD11 HD22 ' A' ' 115' ' ' LEU . 12.9 pt -84.27 -0.16 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.44 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.96 30.58 67.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.686 -179.168 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.046 HD22 HD11 ' A' ' 113' ' ' ILE . 5.9 tp -74.1 -70.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 0.0 111.213 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.589 ' HB3' ' HB3' ' A' ' 110' ' ' LEU . . . -93.84 -170.1 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 -179.82 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 154.6 43.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.754 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.787 ' HA ' HD12 ' A' ' 121' ' ' LEU . 5.5 p30 -56.64 -25.59 53.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 4.6 m-20 -77.0 -23.17 52.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.651 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.452 ' HB3' HD13 ' A' ' 44' ' ' ILE . 9.0 mt-30 -106.62 12.49 29.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.141 179.73 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.787 HD12 ' HA ' ' A' ' 118' ' ' ASP . 17.1 mt -81.31 57.66 3.3 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.228 0.537 . . . . 0.0 110.738 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -50.75 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.481 -179.293 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.571 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER 45.64 105.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 CA-C-O 121.345 0.593 . . . . 0.0 112.402 179.454 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.497 ' NE2' ' NE2' ' A' ' 45' ' ' HIS . 9.9 m-70 -118.91 -66.35 1.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 118.32 -131.08 9.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.013 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 50' ' ' GLN . 1.6 p90 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 stop_ save_