data_2p03_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 2p03 _Structure_validation_residue.Date_analyzed 2016-10-08 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 full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 t -64.44 118.05 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.526 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.527 ' C ' ' H ' ' A' ' 5' ' ' LYS . 87.0 mtt-85 -155.87 73.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.553 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 6' ' ' ASN . 93.2 mt-10 -74.64 29.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 3' ' ' ARG . 92.2 mttt -47.04 93.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' GLU . 22.5 m120 -64.34 92.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.585 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -71.18 -45.76 14.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 51.7 Cg_exo -51.12 156.48 5.12 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.733 2.289 . . . . 0.0 112.124 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -146.95 72.02 12.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.73 132.33 21.08 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.787 2.325 . . . . 0.0 112.13 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.6 p -161.58 60.25 1.16 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -72.59 157.63 52.19 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.852 2.368 . . . . 0.0 112.108 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -139.27 160.65 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.684 ' H ' ' HE ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -89.36 -179.19 5.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -138.67 121.15 16.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.6 p -83.69 -167.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.85 98.72 0.13 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -75.14 89.97 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.653 ' OE1' ' NE1' ' A' ' 29' ' ' TRP . 92.9 mt-10 -66.53 -20.19 65.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.558 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -129.22 -167.79 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.8 mtm105 -134.83 24.36 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.661 ' SD ' ' OE2' ' A' ' 56' ' ' GLU . 21.3 mtt -143.61 140.52 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -56.5 -31.6 64.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -65.2 -59.22 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.481 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.77 -29.36 66.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.275 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -72.63 -65.4 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.493 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 6.1 pt20 -50.94 -40.31 57.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.446 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 7.9 tp -64.53 -64.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.37 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.73 ' NE1' ' NE2' ' A' ' 33' ' ' GLN . 47.9 t-105 -44.96 -59.43 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.166 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -50.34 -42.48 53.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.468 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 35' ' ' LEU . 21.4 mttt -58.84 -59.57 5.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.455 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.7 -44.63 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.339 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.73 ' NE2' ' NE1' ' A' ' 29' ' ' TRP . 92.4 mt-30 -57.18 -38.65 73.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.413 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.518 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -72.61 -30.56 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 35' ' ' LEU . 8.2 mp -77.41 -23.87 50.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CE1' ' O ' ' A' ' 34' ' ' ARG . 13.2 m80 65.03 117.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 mt -135.39 155.69 78.42 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -43.21 158.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.789 2.326 . . . . 0.0 112.126 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.6 -40.15 18.86 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.753 2.302 . . . . 0.0 111.979 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.29 -41.38 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.295 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 45' ' ' LEU . 36.8 mmt180 -67.78 -38.86 83.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.358 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.11 -41.84 90.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.363 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.5 -60.2 3.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.314 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -58.88 -34.38 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.297 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 27.0 tp -65.93 -60.56 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.38 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -48.03 -48.73 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.274 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.96 -57.8 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.173 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -48.83 -47.42 42.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.137 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.6 mt -52.98 -47.63 68.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.028 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -55.6 -50.05 71.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.079 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.464 ' N ' HD11 ' A' ' 51' ' ' ILE . 5.1 mm -53.25 -43.1 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.071 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' HD21 ' A' ' 81' ' ' LEU . 13.1 tt0 -59.23 -48.77 80.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.343 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 85.1 tt0 -56.58 -39.1 72.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.27 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -67.49 -37.14 82.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.363 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.3 -56.32 7.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.614 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.675 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 13.1 pt-20 -54.52 -45.5 73.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.402 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.564 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.4 -60.86 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.161 179.641 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.23 -29.59 47.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.232 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.469 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 83.3 t90 -68.17 -64.82 0.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 61' ' ' LYS . 9.3 ptmt -44.78 -46.37 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.813 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.528 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 68.9 mttt -55.83 -56.34 21.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.517 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -58.06 -32.82 68.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.531 ' N ' ' HG ' ' A' ' 62' ' ' LEU . 10.4 ttpp -64.54 -43.13 94.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.058 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.81 -38.0 87.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.09 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -76.7 -21.34 55.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.295 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.57 77.55 0.82 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mt -135.86 -25.22 1.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.782 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.573 ' N ' ' CD1' ' A' ' 62' ' ' LEU . 1.8 t70 -67.85 95.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.452 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.648 ' C ' ' H ' ' A' ' 71' ' ' GLY . 73.5 mm-40 -96.07 -77.18 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' A' ' 72' ' ' GLU . 53.9 m-20 -44.98 -8.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.643 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.648 ' H ' ' C ' ' A' ' 69' ' ' GLU . . . 62.08 -1.06 1.49 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 70' ' ' ASP . 36.0 tp10 -59.08 -29.71 67.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.449 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -62.1 -64.57 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.262 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.435 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 77.1 tt0 -55.87 -35.38 66.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.341 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.15 69.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.443 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.764 ' HE ' HD22 ' A' ' 80' ' ' ASN . 0.0 OUTLIER -71.98 -42.32 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.061 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.1 tp -66.17 -43.37 87.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.076 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.4 HD13 HG23 ' A' ' 78' ' ' ILE . 85.0 mt -70.72 -43.96 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.327 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.5 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 74.7 ttt-85 -60.78 -42.39 97.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.764 HD22 ' HE ' ' A' ' 76' ' ' ARG . 18.0 m-20 -70.6 -36.6 73.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.486 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -59.75 -55.4 34.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.42 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.94 -41.33 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.523 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 79' ' ' ARG . 42.5 t -57.86 -55.1 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.428 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 84' ' ' ILE . 96.7 mt -58.58 -42.44 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.509 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mp -60.55 -62.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.483 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.66 38.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -65.04 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.502 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -63.59 -14.38 50.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.509 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.77 15.58 61.23 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.497 ' N ' ' CD1' ' A' ' 90' ' ' LEU . 6.8 mp -86.65 6.25 32.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.544 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -75.46 -84.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.546 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.44 -103.7 2.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -168.97 124.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.572 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -88.0 147.3 25.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -87.28 174.51 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -148.09 121.62 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -96.08 143.28 27.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.537 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -161.64 133.13 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.8 p -162.78 156.77 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.556 ' O ' ' O ' ' A' ' 101' ' ' SER . 77.4 p -141.21 -18.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.556 ' O ' ' O ' ' A' ' 100' ' ' THR . 18.9 m 47.67 171.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -165.27 152.43 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.4 m -166.95 89.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.539 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' A' ' 104' ' ' LEU . 3.9 tt -174.24 116.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.463 ' OG ' ' OE2' ' A' ' 151' ' ' GLU . 35.7 t -145.26 -77.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.567 ' O ' ' O ' ' A' ' 107' ' ' THR . . . 86.48 -67.84 3.4 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.567 ' O ' ' O ' ' A' ' 106' ' ' GLY . 48.9 m 48.39 169.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.523 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.461 ' N ' ' CG2' ' A' ' 107' ' ' THR . 6.0 pt20 -175.65 86.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.596 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -78.92 165.86 23.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.07 -80.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 171.18 -96.78 0.11 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.673 ' N ' ' CD2' ' A' ' 112' ' ' LEU . 1.4 mm? -106.07 65.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.587 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.549 ' O ' ' OE2' ' A' ' 118' ' ' GLU . 88.4 m-20 -107.33 -77.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -52.73 123.11 30.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.508 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.519 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 75.2 Cg_exo -43.2 -34.63 4.49 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.61 2.207 . . . . 0.0 112.147 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -30.89 64.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 mt -86.92 -58.89 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.702 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 5.9 mt-10 -56.03 -24.92 42.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.448 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -60.43 -54.59 43.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.379 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.548 ' CD2' ' CZ ' ' A' ' 142' ' ' PHE . 3.8 tp -70.47 -47.94 58.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.588 ' HE1' ' CE ' ' A' ' 125' ' ' LYS . 12.9 t-105 -51.75 -46.37 64.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.642 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.702 ' CD2' ' O ' ' A' ' 118' ' ' GLU . 7.8 m170 -75.46 -32.16 60.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.554 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 127' ' ' SER . 0.7 OUTLIER -54.89 -50.83 67.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.652 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.12 -46.74 15.92 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.794 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.588 ' CE ' ' HE1' ' A' ' 121' ' ' TRP . 15.8 ttmt -48.86 -31.88 7.91 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 128' ' ' GLY . 4.5 m -103.29 -47.12 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 17.6 t -44.48 -23.22 0.1 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.883 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 126' ' ' THR . . . -154.03 -85.92 0.05 OUTLIER Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.031 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.702 ' O ' ' N ' ' A' ' 131' ' ' SER . 1.8 pttp -178.58 20.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.485 ' CD2' ' HB3' ' A' ' 134' ' ' GLU . 3.0 m-30 -59.62 50.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.508 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.702 ' N ' ' O ' ' A' ' 129' ' ' LYS . 12.7 p -107.46 108.95 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 111.176 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.539 ' O ' ' CG ' ' A' ' 136' ' ' ASP . . . 128.77 -95.77 0.39 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.549 -0.621 . . . . 0.0 111.549 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 40.5 mp0 -79.36 -43.39 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.739 0.304 . . . . 0.0 110.771 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.612 ' CD ' ' H ' ' A' ' 134' ' ' GLU . 4.5 mp0 -65.11 -48.76 72.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 121' ' ' TRP . 1.2 mt -65.38 -42.85 92.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.055 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.539 ' CG ' ' O ' ' A' ' 132' ' ' GLY . 52.9 m-20 -54.36 -48.05 71.9 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -58.96 -48.2 82.38 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 142' ' ' PHE . 7.0 mt -48.55 -49.08 37.89 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.679 ' O ' ' CD2' ' A' ' 143' ' ' LEU . 0.1 OUTLIER -64.52 -41.92 96.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.249 178.239 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.741 ' O ' ' CG ' ' A' ' 144' ' ' HIS . 33.1 mtt-85 -45.94 -53.24 10.27 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 119.166 -1.014 . . . . 0.0 108.557 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.455 ' H ' ' HG2' ' A' ' 141' ' ' GLU . 10.6 pt-20 -78.79 -30.95 45.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.105 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.548 ' CZ ' ' CD2' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -65.51 -59.68 3.73 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.612 -179.349 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.679 ' CD2' ' O ' ' A' ' 139' ' ' TRP . 0.6 OUTLIER -67.09 -36.39 81.86 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.098 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.741 ' CG ' ' O ' ' A' ' 140' ' ' ARG . 41.1 m170 -60.89 -33.89 73.79 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.335 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.629 ' O ' ' CG1' ' A' ' 149' ' ' VAL . 1.7 m-70 -71.5 -40.32 70.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.548 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.499 ' O ' HG22 ' A' ' 149' ' ' VAL . 0.0 OUTLIER -61.36 -43.94 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 110.925 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.68 ' OE1' ' N ' ' A' ' 148' ' ' LYS . 1.2 pp20? -72.72 -42.89 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.513 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.68 ' N ' ' OE1' ' A' ' 147' ' ' GLU . 0.2 OUTLIER -71.7 -35.01 70.11 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.234 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.629 ' CG1' ' O ' ' A' ' 145' ' ' HIS . 26.6 m -71.71 -54.07 18.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.047 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.668 ' CD2' ' N ' ' A' ' 151' ' ' GLU . 0.3 OUTLIER -70.1 -20.19 63.21 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 119.561 -0.855 . . . . 0.0 110.459 -179.718 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.668 ' N ' ' CD2' ' A' ' 150' ' ' HIS . 13.9 mm-40 -72.82 -53.13 12.32 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.625 ' CE1' ' CE ' ' A' ' 193' ' ' LYS . 13.6 m-85 -60.0 -41.94 93.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.553 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.448 ' N ' HD21 ' A' ' 153' ' ' ASN . 2.5 m120 -60.24 -43.46 96.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.578 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 150' ' ' HIS . 75.5 t -60.41 -37.17 73.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.81 -51.97 49.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.397 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.609 ' CD1' ' C ' ' A' ' 156' ' ' LEU . 0.3 OUTLIER -60.63 -38.23 84.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.881 0.372 . . . . 0.0 110.086 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.525 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 88.9 mt-10 -73.98 -23.87 59.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.733 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 154' ' ' VAL . 22.5 m -75.95 -46.94 27.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.223 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 160' ' ' SER . 4.3 pp -69.92 -36.46 75.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.171 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.584 ' N ' ' CD1' ' A' ' 159' ' ' LEU . 59.3 m -47.36 -42.51 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.256 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.654 ' O ' ' N ' ' A' ' 163' ' ' GLU . 28.9 mtp180 -75.09 -25.91 58.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.559 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 30.5 m -61.26 48.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.654 ' N ' ' O ' ' A' ' 161' ' ' ARG . 29.5 tp10 -150.88 -32.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.388 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -118.88 28.15 8.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.322 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 6.9 tt -55.11 155.24 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.623 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.588 ' O ' ' HG2' ' A' ' 167' ' ' GLU . 0.2 OUTLIER 179.97 24.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.842 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 166' ' ' HIS . 0.1 OUTLIER 44.41 40.73 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.197 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ASN . . . . . 0.667 ' CG ' ' H ' ' A' ' 169' ' ' VAL . 16.8 p30 -145.21 -85.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.667 ' H ' ' CG ' ' A' ' 168' ' ' ASN . 36.5 t -164.22 135.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.509 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 13.7 tt -55.16 154.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.82 163.7 17.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.537 ' O ' ' OG ' ' A' ' 173' ' ' SER . 64.1 Cg_exo -45.55 111.43 0.32 Allowed 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.771 2.314 . . . . 0.0 112.143 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' SER . . . . . 0.537 ' OG ' ' O ' ' A' ' 172' ' ' PRO . 4.2 m 174.91 110.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.603 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -49.54 -34.93 18.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.504 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.549 ' O ' ' O ' ' A' ' 176' ' ' SER . 0.9 OUTLIER -150.69 52.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.451 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' SER . . . . . 0.672 ' O ' ' N ' ' A' ' 178' ' ' ILE . 3.4 m 47.47 108.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -47.98 79.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.635 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.672 ' N ' ' O ' ' A' ' 176' ' ' SER . 5.5 mt -92.1 169.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.512 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.604 ' CB ' ' NZ ' ' A' ' 179' ' ' LYS . 0.0 OUTLIER -92.44 20.6 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.587 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.45 ' H ' HG21 ' A' ' 178' ' ' ILE . . . 61.69 94.46 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' SER . . . . . 0.651 ' O ' ' NE2' ' A' ' 184' ' ' HIS . 15.5 t -176.04 -48.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.581 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . 0.673 ' C ' ' H ' ' A' ' 184' ' ' HIS . 1.5 t -118.59 169.92 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.409 ' CD2' HD11 ' A' ' 175' ' ' LEU . 2.4 tt 65.12 -21.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' HIS . . . . . 0.823 ' CD2' ' H ' ' A' ' 185' ' ' SER . 0.4 OUTLIER -65.97 -49.04 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.712 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' SER . . . . . 0.823 ' H ' ' CD2' ' A' ' 184' ' ' HIS . 85.5 p -71.09 -30.07 66.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.305 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' ARG . . . . . 0.445 ' HD2' ' HG ' ' A' ' 185' ' ' SER . 14.9 mmm180 -70.96 -46.19 62.81 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.007 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.806 ' ND1' ' N ' ' A' ' 188' ' ' THR . 0.2 OUTLIER -71.54 -36.65 71.05 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.017 179.459 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.806 ' N ' ' ND1' ' A' ' 187' ' ' HIS . 53.4 m -62.12 -47.82 82.87 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -60.16 -44.99 94.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.82 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 190' ' ' LEU . 2.3 mm? -56.25 -40.71 74.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.315 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' LYS . . . . . 0.562 ' O ' ' CG ' ' A' ' 195' ' ' ARG . 53.4 mtpt -72.38 -29.11 63.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.718 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 195' ' ' ARG . 70.7 tt0 -68.92 -49.72 55.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.904 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . 0.625 ' CE ' ' CE1' ' A' ' 152' ' ' TYR . 0.0 OUTLIER -72.69 -42.65 64.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.048 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.592 ' C ' ' CD1' ' A' ' 194' ' ' LEU . 0.4 OUTLIER -67.19 -42.75 83.67 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.759 -179.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' ARG . . . . . 0.747 HH11 ' NE2' ' A' ' 199' ' ' GLN . 0.3 OUTLIER -65.58 -39.39 91.56 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.264 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 192' ' ' GLU . 37.7 m -61.53 -41.03 96.73 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' ILE . . . . . 0.531 HG21 ' CE1' ' A' ' 145' ' ' HIS . 36.8 mt -67.05 -36.88 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.307 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' ASN . . . . . 0.467 ' O ' ' HG ' ' A' ' 201' ' ' LEU . 18.3 t30 -59.69 -49.6 77.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.451 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.747 ' NE2' HH11 ' A' ' 195' ' ' ARG . 33.7 mt-30 -58.78 -40.87 85.25 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' GLY . . . . . . . . . . . . . . . -56.28 -51.34 56.67 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.56 ' HG ' ' N ' ' A' ' 202' ' ' ASP . 0.4 OUTLIER -60.06 -36.42 77.3 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . 0.617 ' OD2' ' O ' ' A' ' 199' ' ' GLN . 0.0 OUTLIER -59.76 -40.26 87.58 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.072 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.465 ' N ' ' OD1' ' A' ' 202' ' ' ASP . 0.9 OUTLIER -63.39 -40.68 97.87 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.513 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.456 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 0.5 OUTLIER -55.37 -40.92 71.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.164 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -62.64 -50.99 69.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.901 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . 0.726 ' NH2' HE22 ' A' ' 210' ' ' GLN . 43.5 mtp85 -61.13 -29.09 69.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.08 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' VAL . . . . . 0.71 ' O ' ' N ' ' A' ' 211' ' ' GLY . 2.2 t -67.84 -46.02 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.271 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.88 -26.89 62.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.448 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -97.87 -14.98 20.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.956 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' GLN . . . . . 0.726 HE22 ' NH2' ' A' ' 206' ' ' ARG . 6.7 mt-30 -136.14 -33.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.758 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' GLY . . . . . 0.71 ' N ' ' O ' ' A' ' 207' ' ' VAL . . . -66.15 20.93 0.16 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' TYR . . . . . 0.632 ' H ' ' C ' ' A' ' 210' ' ' GLN . 16.1 t80 -56.32 152.52 11.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 0.0 110.641 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' SER . . . . . . . . . . . . . 27.5 t -45.04 149.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.593 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.682 ' CG2' ' H ' ' A' ' 215' ' ' GLU . 7.8 t -161.57 -62.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' GLU . . . . . 0.682 ' H ' ' CG2' ' A' ' 214' ' ' THR . 83.8 tt0 -158.63 145.06 17.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 217' ' ' GLU . . . 175.38 110.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 216' ' ' ALA . 78.4 mt-10 -160.12 34.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -122.04 -62.02 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -69.99 -125.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 220' ' ' GLU . 0.0 OUTLIER -126.89 56.01 16.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.582 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 220' ' ' GLU . 49.5 Cg_endo -72.6 -55.45 0.11 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.771 2.314 . . . . 0.0 112.156 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -140.22 -26.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' VAL . . . . . 0.503 ' CG2' ' H ' ' A' ' 224' ' ' ILE . 0.9 OUTLIER -64.97 -86.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' ILE . . . . . 0.503 ' H ' ' CG2' ' A' ' 223' ' ' VAL . 1.8 mp -41.51 -25.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.282 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 223' ' ' VAL . 17.1 t70 -73.4 -49.8 25.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.105 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 223' ' ' VAL . 8.0 mt -60.03 -34.78 73.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.094 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.449 ' N ' ' CD1' ' A' ' 227' ' ' TRP . 16.7 m0 -71.87 -44.38 63.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.308 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.2 -46.31 82.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.619 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 231' ' ' GLN . 1.1 pp -76.48 -29.13 56.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 229' ' ' LEU . . . -32.64 -34.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 229' ' ' LEU . 4.5 tt0 -50.12 -32.92 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.579 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 46.1 m -91.56 -13.92 31.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.52 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 234' ' ' ASN . . . -68.6 52.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 233' ' ' ALA . 0.7 OUTLIER 31.95 85.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 32.4 mt -116.46 -164.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 237' ' ' ASP . 0.0 OUTLIER -140.64 147.1 38.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 236' ' ' THR . 15.0 t70 -33.7 -72.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 239' ' ' GLU . 8.5 mtpm? -42.11 -74.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.293 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' GLU . . . . . 0.564 ' OE1' ' O ' ' A' ' 320' ' ' HIS . 0.6 OUTLIER -40.07 -41.17 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.069 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' LEU . . . . . 0.684 ' O ' ' N ' ' A' ' 243' ' ' PHE . 4.2 mt -63.83 -78.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.179 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 240' ' ' LEU . 25.4 tp10 -26.64 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.319 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 240' ' ' LEU . . . -64.33 -48.39 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.189 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' PHE . . . . . 0.684 ' N ' ' O ' ' A' ' 240' ' ' LEU . 0.0 OUTLIER -66.16 -26.95 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.457 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.23 -59.3 3.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.166 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 246' ' ' GLU . 10.2 pt-20 -55.92 -50.1 71.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.194 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 245' ' ' GLU . 49.1 tp10 -53.17 -52.97 57.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.22 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . 0.467 HD21 ' CD2' ' A' ' 243' ' ' PHE . 3.0 mm? -55.33 -58.15 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.216 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 247' ' ' LEU . 70.2 tttt -40.2 -52.57 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.115 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -59.17 -40.46 85.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.215 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 253' ' ' LYS . 11.6 t80 -66.74 -72.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.467 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' GLU . . . . . 0.587 ' CD ' ' N ' ' A' ' 252' ' ' ALA . 1.5 pp20? -39.87 -40.39 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.378 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . 0.587 ' N ' ' CD ' ' A' ' 251' ' ' GLU . . . -67.79 -41.38 83.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.302 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 250' ' ' PHE . 0.1 OUTLIER -63.3 -59.49 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 255' ' ' GLU . 0.5 OUTLIER -53.62 -52.69 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' A' ' 254' ' ' ILE . 9.6 tm-20 -49.28 -51.7 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.256 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . 0.47 ' HB3' HH22 ' A' ' 296' ' ' ARG . 54.6 mttm -55.45 -46.62 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' HIS . . . . . 0.66 ' NE2' ' OE1' ' A' ' 261' ' ' GLN . 4.8 t-80 -53.52 -42.28 67.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.189 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.1 -46.87 85.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.292 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -60.31 -48.67 80.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.302 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' TYR . . . . . 0.593 ' CE2' ' NH2' ' A' ' 296' ' ' ARG . 37.1 m-85 -66.89 -26.11 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.347 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' GLN . . . . . 0.66 ' OE1' ' NE2' ' A' ' 257' ' ' HIS . 0.1 OUTLIER -67.56 -53.1 31.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.195 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -63.07 -49.62 73.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.201 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' GLN . . . . . 0.401 HE21 ' HB2' ' A' ' 263' ' ' GLN . 5.7 tp-100 -62.02 -31.68 72.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.255 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' LEU . . . . . 0.461 ' CB ' ' O ' ' A' ' 260' ' ' TYR . 15.8 tp -66.51 -47.78 71.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.338 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -61.31 -50.52 72.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.357 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . 48.7 mt -56.89 -50.2 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.375 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.27 88.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.398 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -57.58 -49.76 75.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.428 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.41 -53.69 51.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.426 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -35.82 65.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.493 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 272' ' ' ARG . 2.1 tp -70.32 -63.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.387 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' ARG . . . . . 0.419 ' N ' ' HG ' ' A' ' 271' ' ' LEU . 10.7 mmm180 -43.3 -41.49 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.465 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -75.09 -35.96 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.498 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -63.62 -26.6 68.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.9 -23.37 61.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.532 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' SER . . . . . . . . . . . . . 72.5 m -83.77 -3.53 57.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' VAL . . . . . . . . . . . . . 7.3 p -45.7 -46.98 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 89.67 59.74 1.5 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 279' ' ' ASP . 18.2 t0 -174.51 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 110.602 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' GLY . . . . . 0.446 ' HA2' HH21 ' A' ' 282' ' ' ARG . . . 86.82 106.1 0.82 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . 0.802 ' H ' HH21 ' A' ' 282' ' ' ARG . 42.5 mt-10 -147.62 -61.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' ARG . . . . . 0.802 HH21 ' H ' ' A' ' 281' ' ' GLU . 0.0 OUTLIER -101.33 5.21 42.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' VAL . . . . . 0.681 ' N ' ' HE ' ' A' ' 282' ' ' ARG . 34.8 t -62.52 -40.39 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' SER . . . . . . . . . . . . . 20.4 t -56.75 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.588 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' ARG . . . . . . . . . . . . . 30.6 ptt85 -48.64 -43.28 36.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' SER . . . . . 0.566 ' OG ' ' O ' ' A' ' 282' ' ' ARG . 64.4 m -52.94 -56.63 14.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.515 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.01 -33.56 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.499 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -61.72 -70.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.457 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -27.73 56.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.414 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -61.05 -66.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -55.26 -43.56 74.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.369 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 292' ' ' LEU . 0.7 OUTLIER -53.7 -59.13 5.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.285 179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' LEU . . . . . 0.574 ' O ' ' OG1' ' A' ' 297' ' ' THR . 2.7 tp -51.07 -47.45 61.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.321 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' GLU . . . . . 0.54 ' O ' ' OE1' ' A' ' 294' ' ' GLU . 0.0 OUTLIER -57.25 -42.07 80.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.329 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -59.27 -56.71 23.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' ARG . . . . . 0.638 ' NH1' ' CD2' ' A' ' 300' ' ' LEU . 0.0 OUTLIER -58.98 -29.75 67.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.747 0.308 . . . . 0.0 110.377 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' THR . . . . . 0.574 ' OG1' ' O ' ' A' ' 293' ' ' LEU . 3.7 m -63.83 -56.06 18.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.249 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.65 -48.6 79.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -54.42 -45.69 73.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.292 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . 0.638 ' CD2' ' NH1' ' A' ' 296' ' ' ARG . 0.1 OUTLIER -57.62 -51.68 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' GLY . . . . . . . . . . . . . . . -50.87 -49.76 40.54 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' TYR . . . . . 0.469 ' CZ ' ' HG3' ' A' ' 306' ' ' LYS . 5.2 t80 -57.4 -42.78 82.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.299 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' THR . . . . . . . . . . . . . 80.9 m -60.27 -51.76 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.367 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 1.9 t -56.0 -37.8 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.267 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -61.75 -56.56 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.419 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . 0.469 ' HG3' ' CZ ' ' A' ' 302' ' ' TYR . 17.5 mmtm -55.8 -54.86 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.34 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -57.6 -30.88 65.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.412 ' CD2' ' CG1' ' A' ' 223' ' ' VAL . 1.1 mt -63.97 -55.26 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.363 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.84 -39.8 82.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.428 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.18 -71.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 22.5 mt -41.94 -36.79 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 314' ' ' ARG . 34.9 t -68.14 -69.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.607 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -56.1 -8.84 2.57 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . 0.541 ' O ' ' C ' ' A' ' 315' ' ' ILE . 95.7 mtt-85 -96.39 -69.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.722 0.296 . . . . 0.0 110.594 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' ILE . . . . . 0.541 ' C ' ' O ' ' A' ' 314' ' ' ARG . 3.6 mm -26.29 -68.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 318' ' ' ALA . 15.9 m -28.46 148.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 61.64 -70.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 316' ' ' SER . . . 68.9 73.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -163.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' HIS . . . . . 0.564 ' O ' ' OE1' ' A' ' 239' ' ' GLU . 2.2 t-80 -90.31 -27.93 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.555 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 323' ' ' LEU . 88.2 m-20 -67.96 44.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 320' ' ' HIS . 11.4 tm-20 58.87 -76.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.599 ' C ' ' CD2' ' A' ' 323' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.501 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 t -64.44 118.05 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.526 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 5' ' ' LYS . 87.0 mtt-85 -155.87 73.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.553 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 6' ' ' ASN . 93.2 mt-10 -74.64 29.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.497 ' H ' ' C ' ' A' ' 3' ' ' ARG . 92.2 mttt -47.04 93.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' GLU . 84.6 m-20 -64.34 92.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.585 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -71.18 -45.76 14.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 51.7 Cg_exo -51.12 156.48 5.12 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.733 2.289 . . . . 0.0 112.124 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -146.95 72.02 12.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.73 132.33 21.08 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.787 2.325 . . . . 0.0 112.13 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.6 p -161.58 60.25 1.16 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -72.59 157.63 52.19 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.852 2.368 . . . . 0.0 112.108 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -139.27 160.65 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.711 ' H ' ' HE ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -89.36 -179.19 5.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -138.67 121.15 16.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.6 p -83.69 -167.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.85 98.72 0.13 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -75.14 89.97 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.653 ' OE1' ' NE1' ' A' ' 29' ' ' TRP . 92.9 mt-10 -66.53 -20.19 65.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.558 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -129.22 -167.79 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.8 mtm105 -134.83 24.36 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.661 ' SD ' ' OE2' ' A' ' 56' ' ' GLU . 21.3 mtt -143.61 140.52 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -56.5 -31.6 64.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 3.3 mtpt -65.2 -59.22 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.481 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.77 -29.36 66.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.275 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -72.63 -65.4 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.493 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 6.1 pt20 -50.94 -40.31 57.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.446 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD11 HD23 ' A' ' 90' ' ' LEU . 7.9 tp -64.53 -64.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.37 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.73 ' NE1' ' NE2' ' A' ' 33' ' ' GLN . 47.9 t-105 -44.96 -59.43 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.166 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -50.34 -42.48 53.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.468 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.51 ' O ' HD13 ' A' ' 35' ' ' LEU . 21.4 mttt -58.84 -59.57 5.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.455 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.7 -44.63 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.339 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.73 ' NE2' ' NE1' ' A' ' 29' ' ' TRP . 92.4 mt-30 -57.18 -38.65 73.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.413 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -72.61 -30.56 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 31' ' ' LYS . 8.2 mp -77.41 -23.87 50.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 65.03 117.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 mt -135.39 155.69 78.42 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -43.21 158.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.789 2.326 . . . . 0.0 112.126 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.6 -40.15 18.86 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.753 2.302 . . . . 0.0 111.979 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.29 -41.38 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.295 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 45' ' ' LEU . 36.8 mmt180 -67.78 -38.86 83.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.358 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.11 -41.84 90.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.363 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.5 -60.2 3.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.314 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -58.88 -34.38 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.297 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 27.0 tp -65.93 -60.56 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.38 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -48.03 -48.73 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.274 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.96 -57.8 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.173 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -48.83 -47.42 42.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.137 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 49' ' ' LEU . 71.6 mt -52.98 -47.63 68.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.028 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -55.6 -50.05 71.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.079 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.536 HD13 ' N ' ' A' ' 51' ' ' ILE . 5.1 mm -53.25 -43.1 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.071 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.409 ' O ' ' OD2' ' A' ' 55' ' ' ASP . 7.4 tt0 -59.23 -48.77 80.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.343 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 85.1 tt0 -56.58 -39.1 72.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.27 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -67.49 -37.14 82.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.363 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.3 -56.32 7.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.614 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.675 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 13.1 pt-20 -54.52 -45.5 73.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.402 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.564 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.4 -60.86 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.161 179.641 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.23 -29.59 47.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.232 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.628 ' HA ' HD23 ' A' ' 62' ' ' LEU . 83.3 t90 -68.17 -64.82 0.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' HG3' ' N ' ' A' ' 61' ' ' LYS . 9.3 ptmt -44.78 -46.37 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.813 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.536 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 68.9 mttt -55.83 -56.34 21.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.517 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.776 HD11 ' CB ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -58.06 -32.82 68.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' N ' ' HG ' ' A' ' 62' ' ' LEU . 10.4 ttpp -64.54 -43.13 94.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.058 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.81 -38.0 87.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.09 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -76.7 -21.34 55.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.295 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.57 77.55 0.82 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 67' ' ' LEU . 6.7 mt -135.86 -25.22 1.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.782 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.776 ' CB ' HD11 ' A' ' 62' ' ' LEU . 1.8 t70 -67.85 95.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.452 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.636 ' O ' ' N ' ' A' ' 71' ' ' GLY . 73.5 mm-40 -96.07 -77.18 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 72' ' ' GLU . 53.9 m-20 -44.98 -8.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.643 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.636 ' N ' ' O ' ' A' ' 69' ' ' GLU . . . 62.08 -1.06 1.49 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 70' ' ' ASP . 36.0 tp10 -59.08 -29.71 67.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.449 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -62.1 -64.57 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.262 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 77.1 tt0 -55.87 -35.38 66.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.341 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.15 69.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.443 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.505 ' NE ' ' OD1' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -71.98 -42.32 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.061 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.581 HD13 ' OD1' ' A' ' 55' ' ' ASP . 16.1 tp -66.17 -43.37 87.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.076 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.0 mt -70.72 -43.96 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.327 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.764 ' O ' HG23 ' A' ' 83' ' ' VAL . 74.7 ttt-85 -60.78 -42.39 97.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.505 ' OD1' ' NE ' ' A' ' 76' ' ' ARG . 1.5 m120 -70.6 -36.6 73.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.486 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.595 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -59.75 -55.4 34.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.42 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.94 -41.33 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.523 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 79' ' ' ARG . 42.5 t -57.86 -55.1 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.428 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.58 -42.44 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.509 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 81' ' ' LEU . 2.5 mp -60.55 -62.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.483 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.66 38.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -65.04 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.502 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.453 ' HB3' HD13 ' A' ' 90' ' ' LEU . 48.7 m-85 -63.59 -14.38 50.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.509 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.77 15.58 61.23 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.564 HD23 HD11 ' A' ' 28' ' ' LEU . 6.8 mp -86.65 6.25 32.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.544 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -75.46 -84.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.546 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.44 -103.7 2.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -168.97 124.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.572 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -88.0 147.3 25.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -87.28 174.51 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -148.09 121.62 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -96.08 143.28 27.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.537 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -161.64 133.13 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 100' ' ' THR . 12.8 p -162.78 156.77 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.556 ' O ' ' O ' ' A' ' 101' ' ' SER . 77.4 p -141.21 -18.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.556 ' O ' ' O ' ' A' ' 100' ' ' THR . 18.9 m 47.67 171.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -165.27 152.43 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.4 m -166.95 89.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.539 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.645 HD23 ' N ' ' A' ' 105' ' ' SER . 3.9 tt -174.24 116.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.645 ' N ' HD23 ' A' ' 104' ' ' LEU . 35.7 t -145.26 -77.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.567 ' O ' ' O ' ' A' ' 107' ' ' THR . . . 86.48 -67.84 3.4 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.657 HG22 ' N ' ' A' ' 108' ' ' GLN . 48.9 m 48.39 169.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.523 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.657 ' N ' HG22 ' A' ' 107' ' ' THR . 6.0 pt20 -175.65 86.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.596 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -78.92 165.86 23.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.07 -80.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.547 ' C ' HD22 ' A' ' 112' ' ' LEU . . . 171.18 -96.78 0.11 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.952 ' N ' HD22 ' A' ' 112' ' ' LEU . 1.4 mm? -106.07 65.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.587 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.549 ' O ' ' OE2' ' A' ' 118' ' ' GLU . 88.4 m-20 -107.33 -77.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -52.73 123.11 30.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.508 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.519 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 75.2 Cg_exo -43.2 -34.63 4.49 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.61 2.207 . . . . 0.0 112.147 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -30.89 64.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 mt -86.92 -58.89 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.624 ' HB3' ' CE1' ' A' ' 122' ' ' HIS . 5.9 mt-10 -56.03 -24.92 42.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.448 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -60.43 -54.59 43.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.379 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.943 HD22 ' CZ ' ' A' ' 142' ' ' PHE . 3.8 tp -70.47 -47.94 58.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.917 ' CE3' HD22 ' A' ' 135' ' ' LEU . 12.9 t-105 -51.75 -46.37 64.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.642 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.624 ' CE1' ' HB3' ' A' ' 118' ' ' GLU . 1.6 m80 -75.46 -32.16 60.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.554 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 127' ' ' SER . 0.7 OUTLIER -54.89 -50.83 67.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.652 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 130' ' ' PHE . . . -80.12 -46.74 15.92 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.794 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.627 ' CE ' ' HE1' ' A' ' 121' ' ' TRP . 15.8 ttmt -48.86 -31.88 7.91 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 128' ' ' GLY . 4.5 m -103.29 -47.12 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 17.6 t -44.48 -23.22 0.1 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.883 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 126' ' ' THR . . . -154.03 -85.92 0.05 OUTLIER Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.031 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.702 ' O ' ' N ' ' A' ' 131' ' ' SER . 1.8 pttp -178.58 20.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' A' ' 134' ' ' GLU . 3.0 m-30 -59.62 50.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.508 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.702 ' N ' ' O ' ' A' ' 129' ' ' LYS . 12.7 p -107.46 108.95 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 111.176 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.539 ' O ' ' CG ' ' A' ' 136' ' ' ASP . . . 128.77 -95.77 0.39 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.549 -0.621 . . . . 0.0 111.549 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.5 mp0 -79.36 -43.39 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.739 0.304 . . . . 0.0 110.771 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.694 ' CD ' ' H ' ' A' ' 134' ' ' GLU . 4.5 mp0 -65.11 -48.76 72.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.917 HD22 ' CE3' ' A' ' 121' ' ' TRP . 1.2 mt -65.38 -42.85 92.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.055 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.539 ' CG ' ' O ' ' A' ' 132' ' ' GLY . 52.9 m-20 -54.36 -48.05 71.9 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -58.96 -48.2 82.38 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 142' ' ' PHE . 7.0 mt -48.55 -49.08 37.89 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.679 ' O ' ' CD2' ' A' ' 143' ' ' LEU . 0.1 OUTLIER -64.52 -41.92 96.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.249 178.239 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.741 ' O ' ' CG ' ' A' ' 144' ' ' HIS . 33.1 mtt-85 -45.94 -53.24 10.27 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 119.166 -1.014 . . . . 0.0 108.557 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.863 ' CD ' HD21 ' A' ' 204' ' ' LEU . 10.6 pt-20 -78.79 -30.95 45.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.105 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.943 ' CZ ' HD22 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -65.51 -59.68 3.73 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.612 -179.349 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.679 ' CD2' ' O ' ' A' ' 139' ' ' TRP . 0.6 OUTLIER -67.09 -36.39 81.86 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.098 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.741 ' CG ' ' O ' ' A' ' 140' ' ' ARG . 41.1 m170 -60.89 -33.89 73.79 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.335 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.946 ' O ' HG13 ' A' ' 149' ' ' VAL . 3.7 m80 -71.5 -40.32 70.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.548 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.472 ' HZ2' ' HB3' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -61.36 -43.94 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 110.925 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.738 ' HA ' ' CE1' ' A' ' 150' ' ' HIS . 1.2 pp20? -72.72 -42.89 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.513 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.68 ' N ' ' OE1' ' A' ' 147' ' ' GLU . 0.2 OUTLIER -71.7 -35.01 70.11 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.234 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.946 HG13 ' O ' ' A' ' 145' ' ' HIS . 26.6 m -71.71 -54.07 18.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.047 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.959 ' O ' HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -70.1 -20.19 63.21 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 119.561 -0.855 . . . . 0.0 110.459 -179.718 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.714 ' HG2' ' CE1' ' A' ' 150' ' ' HIS . 13.9 mm-40 -72.82 -53.13 12.32 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.625 ' CE1' ' CE ' ' A' ' 193' ' ' LYS . 13.6 m-85 -60.0 -41.94 93.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.553 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.421 ' O ' ' HG ' ' A' ' 156' ' ' LEU . 25.9 m-20 -60.24 -43.46 96.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.578 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 150' ' ' HIS . 75.5 t -60.41 -37.17 73.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.81 -51.97 49.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.397 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.845 HD12 ' C ' ' A' ' 156' ' ' LEU . 0.3 OUTLIER -60.63 -38.23 84.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.881 0.372 . . . . 0.0 110.086 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.533 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 88.9 mt-10 -73.98 -23.87 59.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.733 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 22.5 m -75.95 -46.94 27.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.223 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 1.008 HD12 ' N ' ' A' ' 160' ' ' SER . 4.3 pp -69.92 -36.46 75.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.171 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' SER . . . . . 1.008 ' N ' HD12 ' A' ' 159' ' ' LEU . 59.3 m -47.36 -42.51 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.256 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.654 ' O ' ' N ' ' A' ' 163' ' ' GLU . 28.9 mtp180 -75.09 -25.91 58.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.559 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 162' ' ' THR . 30.5 m -61.26 48.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.654 ' N ' ' O ' ' A' ' 161' ' ' ARG . 29.5 tp10 -150.88 -32.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.388 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -118.88 28.15 8.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.322 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 6.9 tt -55.11 155.24 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.623 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.587 ' O ' ' HG2' ' A' ' 167' ' ' GLU . 0.2 OUTLIER 179.97 24.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.842 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 166' ' ' HIS . 0.1 OUTLIER 44.41 40.73 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.197 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ASN . . . . . 0.777 ' O ' HG23 ' A' ' 169' ' ' VAL . 16.8 p30 -145.21 -85.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 168' ' ' ASN . 36.5 t -164.22 135.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.509 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 13.7 tt -55.16 154.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.82 163.7 17.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.503 ' O ' ' OG ' ' A' ' 173' ' ' SER . 64.1 Cg_exo -45.55 111.43 0.32 Allowed 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.771 2.314 . . . . 0.0 112.143 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' SER . . . . . 0.503 ' OG ' ' O ' ' A' ' 172' ' ' PRO . 4.2 m 174.91 110.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.603 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -49.54 -34.93 18.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.504 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.549 ' O ' ' O ' ' A' ' 176' ' ' SER . 0.9 OUTLIER -150.69 52.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.451 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.672 ' O ' ' N ' ' A' ' 178' ' ' ILE . 3.4 m 47.47 108.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -47.98 79.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.635 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.701 HG22 ' N ' ' A' ' 179' ' ' LYS . 5.5 mt -92.1 169.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.512 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.701 ' N ' HG22 ' A' ' 178' ' ' ILE . 0.0 OUTLIER -92.44 20.6 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.587 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.431 ' H ' HG22 ' A' ' 178' ' ' ILE . . . 61.69 94.46 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.851 ' O ' ' CE1' ' A' ' 184' ' ' HIS . 15.5 t -176.04 -48.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.581 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.644 ' C ' ' H ' ' A' ' 184' ' ' HIS . 1.5 t -118.59 169.92 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 183' ' ' LEU . 2.4 tt 65.12 -21.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' HIS . . . . . 0.851 ' CE1' ' O ' ' A' ' 181' ' ' SER . 2.4 p-80 -65.97 -49.04 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.712 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' SER . . . . . 0.52 ' N ' ' CG ' ' A' ' 184' ' ' HIS . 85.5 p -71.09 -30.07 66.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.305 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' ARG . . . . . 0.557 ' O ' HD23 ' A' ' 190' ' ' LEU . 14.9 mmm180 -70.96 -46.19 62.81 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.007 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 1.008 ' CD2' ' N ' ' A' ' 188' ' ' THR . 0.6 OUTLIER -71.54 -36.65 71.05 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.017 179.459 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 188' ' ' THR . . . . . 1.008 ' N ' ' CD2' ' A' ' 187' ' ' HIS . 53.4 m -62.12 -47.82 82.87 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -60.16 -44.99 94.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.82 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 152' ' ' TYR . 2.3 mm? -56.25 -40.71 74.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.315 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' LYS . . . . . 0.562 ' O ' ' CG ' ' A' ' 195' ' ' ARG . 53.4 mtpt -72.38 -29.11 63.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.718 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 195' ' ' ARG . 70.7 tt0 -68.92 -49.72 55.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.904 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' LYS . . . . . 0.625 ' CE ' ' CE1' ' A' ' 152' ' ' TYR . 0.0 OUTLIER -72.69 -42.65 64.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.048 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.822 ' C ' HD12 ' A' ' 194' ' ' LEU . 0.4 OUTLIER -67.19 -42.75 83.67 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.759 -179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 195' ' ' ARG . . . . . 0.565 ' NH1' ' OE1' ' A' ' 199' ' ' GLN . 0.3 OUTLIER -65.58 -39.39 91.56 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.264 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 196' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 195' ' ' ARG . 37.7 m -61.53 -41.03 96.73 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 197' ' ' ILE . . . . . 0.594 ' CG2' ' CD2' ' A' ' 145' ' ' HIS . 36.8 mt -67.05 -36.88 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.307 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 198' ' ' ASN . . . . . 0.478 ' O ' ' HG ' ' A' ' 201' ' ' LEU . 18.3 t30 -59.69 -49.6 77.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.451 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.617 ' O ' ' OD2' ' A' ' 202' ' ' ASP . 80.2 mt-30 -58.78 -40.87 85.25 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 200' ' ' GLY . . . . . . . . . . . . . . . -56.28 -51.34 56.67 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.721 HD12 ' C ' ' A' ' 201' ' ' LEU . 0.4 OUTLIER -60.06 -36.42 77.3 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ASP . . . . . 0.617 ' OD2' ' O ' ' A' ' 199' ' ' GLN . 0.0 OUTLIER -59.76 -40.26 87.58 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.072 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.465 ' N ' ' OD1' ' A' ' 202' ' ' ASP . 0.9 OUTLIER -63.39 -40.68 97.87 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.513 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.863 HD21 ' CD ' ' A' ' 141' ' ' GLU . 0.5 OUTLIER -55.37 -40.92 71.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.164 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -62.64 -50.99 69.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.901 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' ARG . . . . . 0.813 ' NH1' HE22 ' A' ' 210' ' ' GLN . 43.5 mtp85 -61.13 -29.09 69.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.08 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 207' ' ' VAL . . . . . 0.71 ' O ' ' N ' ' A' ' 211' ' ' GLY . 2.2 t -67.84 -46.02 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.271 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.88 -26.89 62.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.448 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -97.87 -14.98 20.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.956 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' GLN . . . . . 0.813 HE22 ' NH1' ' A' ' 206' ' ' ARG . 26.1 mt-30 -136.14 -33.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.758 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' GLY . . . . . 0.71 ' N ' ' O ' ' A' ' 207' ' ' VAL . . . -66.15 20.93 0.16 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 212' ' ' TYR . . . . . 0.62 ' H ' ' C ' ' A' ' 210' ' ' GLN . 16.1 t80 -56.32 152.52 11.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 0.0 110.641 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 213' ' ' SER . . . . . . . . . . . . . 27.5 t -45.04 149.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.593 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.872 HG23 ' H ' ' A' ' 215' ' ' GLU . 7.8 t -161.57 -62.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 215' ' ' GLU . . . . . 0.872 ' H ' HG23 ' A' ' 214' ' ' THR . 83.8 tt0 -158.63 145.06 17.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 216' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 217' ' ' GLU . . . 175.38 110.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 217' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 216' ' ' ALA . 78.4 mt-10 -160.12 34.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 218' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -122.04 -62.02 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' GLU . . . . . 0.636 ' O ' HD13 ' A' ' 224' ' ' ILE . 77.2 mt-10 -69.99 -125.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 220' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 220' ' ' GLU . 0.0 OUTLIER -126.89 56.01 16.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.582 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 221' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 220' ' ' GLU . 49.5 Cg_endo -72.6 -55.45 0.11 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.771 2.314 . . . . 0.0 112.156 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 222' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -140.22 -26.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' VAL . . . . . 0.855 HG11 ' CD2' ' A' ' 308' ' ' LEU . 0.9 OUTLIER -64.97 -86.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 224' ' ' ILE . . . . . 0.766 ' H ' HG23 ' A' ' 223' ' ' VAL . 1.8 mp -41.51 -25.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.282 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 225' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 223' ' ' VAL . 17.1 t70 -73.4 -49.8 25.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.105 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.409 HD23 HD21 ' A' ' 229' ' ' LEU . 8.0 mt -60.03 -34.78 73.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.094 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.449 ' N ' ' CD1' ' A' ' 227' ' ' TRP . 16.7 m0 -71.87 -44.38 63.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.308 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.2 -46.31 82.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.619 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.635 HD12 ' C ' ' A' ' 229' ' ' LEU . 1.1 pp -76.48 -29.13 56.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 230' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 229' ' ' LEU . . . -32.64 -34.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 231' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 229' ' ' LEU . 29.1 tt0 -50.12 -32.92 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.579 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 232' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 234' ' ' ASN . 46.1 m -91.56 -13.92 31.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 233' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 234' ' ' ASN . . . -68.6 52.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 234' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 233' ' ' ALA . 0.7 OUTLIER 31.95 85.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 235' ' ' LEU . . . . . 0.491 ' HA ' HD23 ' A' ' 235' ' ' LEU . 32.4 mt -116.46 -164.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 237' ' ' ASP . 0.0 OUTLIER -140.64 147.1 38.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 237' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 236' ' ' THR . 15.0 t70 -33.7 -72.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 239' ' ' GLU . 8.5 mtpm? -42.11 -74.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.293 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 239' ' ' GLU . . . . . 0.564 ' OE1' ' O ' ' A' ' 320' ' ' HIS . 0.6 OUTLIER -40.07 -41.17 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.069 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 240' ' ' LEU . . . . . 0.684 ' O ' ' N ' ' A' ' 243' ' ' PHE . 4.2 mt -63.83 -78.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.179 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 241' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 240' ' ' LEU . 25.4 tp10 -26.64 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.319 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 242' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 240' ' ' LEU . . . -64.33 -48.39 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.189 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 243' ' ' PHE . . . . . 0.684 ' N ' ' O ' ' A' ' 240' ' ' LEU . 0.0 OUTLIER -66.16 -26.95 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.457 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 244' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.23 -59.3 3.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.166 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 246' ' ' GLU . 10.2 pt-20 -55.92 -50.1 71.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.194 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 246' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 245' ' ' GLU . 49.1 tp10 -53.17 -52.97 57.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.22 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 243' ' ' PHE . 3.0 mm? -55.33 -58.15 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.216 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 248' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 247' ' ' LEU . 70.2 tttt -40.2 -52.57 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.115 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 249' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -59.17 -40.46 85.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.215 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 250' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 253' ' ' LYS . 11.6 t80 -66.74 -72.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.467 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 251' ' ' GLU . . . . . 0.587 ' CD ' ' N ' ' A' ' 252' ' ' ALA . 1.5 pp20? -39.87 -40.39 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.378 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 252' ' ' ALA . . . . . 0.587 ' N ' ' CD ' ' A' ' 251' ' ' GLU . . . -67.79 -41.38 83.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.302 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 253' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 250' ' ' PHE . 0.1 OUTLIER -63.3 -59.49 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 254' ' ' ILE . . . . . 0.683 HG23 ' N ' ' A' ' 255' ' ' GLU . 0.5 OUTLIER -53.62 -52.69 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 255' ' ' GLU . . . . . 0.683 ' N ' HG23 ' A' ' 254' ' ' ILE . 9.6 tm-20 -49.28 -51.7 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.256 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 256' ' ' LYS . . . . . 0.502 ' HB3' HH22 ' A' ' 296' ' ' ARG . 54.6 mttm -55.45 -46.62 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 257' ' ' HIS . . . . . 0.653 ' NE2' ' OE1' ' A' ' 261' ' ' GLN . 4.8 t-80 -53.52 -42.28 67.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.189 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 258' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.1 -46.87 85.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.292 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 259' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -60.31 -48.67 80.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.302 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 260' ' ' TYR . . . . . 0.593 ' CE2' ' NH2' ' A' ' 296' ' ' ARG . 37.1 m-85 -66.89 -26.11 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.347 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 261' ' ' GLN . . . . . 0.653 ' OE1' ' NE2' ' A' ' 257' ' ' HIS . 0.1 OUTLIER -67.56 -53.1 31.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.195 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 262' ' ' LYS . . . . . 0.46 ' HB2' ' HZ3' ' A' ' 262' ' ' LYS . 4.5 ttmm -63.07 -49.62 73.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.201 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -62.02 -31.68 72.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.255 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 264' ' ' LEU . . . . . 0.461 ' CB ' ' O ' ' A' ' 260' ' ' TYR . 15.8 tp -66.51 -47.78 71.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.338 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 265' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -61.31 -50.52 72.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.357 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . 48.7 mt -56.89 -50.2 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.375 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 267' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.27 88.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.398 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 268' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -57.58 -49.76 75.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.428 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 269' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.41 -53.69 51.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.426 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 270' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -35.82 65.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.493 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.567 HD12 ' C ' ' A' ' 271' ' ' LEU . 2.1 tp -70.32 -63.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.387 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 272' ' ' ARG . . . . . 0.423 ' N ' ' HG ' ' A' ' 271' ' ' LEU . 10.7 mmm180 -43.3 -41.49 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.465 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 273' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -75.09 -35.96 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.498 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 274' ' ' ALA . . . . . 0.478 ' O ' HG12 ' A' ' 277' ' ' VAL . . . -63.62 -26.6 68.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 275' ' ' GLU . . . . . 0.541 ' OE2' HG13 ' A' ' 283' ' ' VAL . 6.3 mm-40 -71.9 -23.37 61.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.532 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 276' ' ' SER . . . . . . . . . . . . . 72.5 m -83.77 -3.53 57.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 277' ' ' VAL . . . . . 0.572 HG13 ' N ' ' A' ' 278' ' ' GLY . 7.3 p -45.7 -46.98 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.572 ' N ' HG13 ' A' ' 277' ' ' VAL . . . 89.67 59.74 1.5 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 279' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 279' ' ' ASP . 18.2 t0 -174.51 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 110.602 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 280' ' ' GLY . . . . . 0.447 ' HA2' HH21 ' A' ' 282' ' ' ARG . . . 86.82 106.1 0.82 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 281' ' ' GLU . . . . . 0.764 ' H ' ' NH2' ' A' ' 282' ' ' ARG . 42.5 mt-10 -147.62 -61.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 282' ' ' ARG . . . . . 0.842 ' NE ' ' H ' ' A' ' 282' ' ' ARG . 0.0 OUTLIER -101.33 5.21 42.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 283' ' ' VAL . . . . . 0.715 ' N ' ' HE ' ' A' ' 282' ' ' ARG . 34.8 t -62.52 -40.39 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 284' ' ' SER . . . . . . . . . . . . . 20.4 t -56.75 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.588 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 285' ' ' ARG . . . . . . . . . . . . . 30.6 ptt85 -48.64 -43.28 36.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 286' ' ' SER . . . . . 0.565 ' OG ' ' O ' ' A' ' 282' ' ' ARG . 64.4 m -52.94 -56.63 14.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.515 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 287' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.01 -33.56 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.499 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -61.72 -70.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.457 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 289' ' ' LYS . . . . . 0.474 ' CE ' HD13 ' A' ' 293' ' ' LEU . 0.0 OUTLIER -56.28 -27.73 56.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.414 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 290' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -61.05 -66.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -55.26 -43.56 74.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.369 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 292' ' ' LEU . . . . . 0.739 ' O ' HD12 ' A' ' 292' ' ' LEU . 0.7 OUTLIER -53.7 -59.13 5.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.285 179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 293' ' ' LEU . . . . . 0.577 HD11 ' CD1' ' A' ' 260' ' ' TYR . 2.7 tp -51.07 -47.45 61.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.321 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 294' ' ' GLU . . . . . 0.54 ' O ' ' OE1' ' A' ' 294' ' ' GLU . 0.0 OUTLIER -57.25 -42.07 80.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.329 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -59.27 -56.71 23.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 296' ' ' ARG . . . . . 0.703 ' NH1' HD23 ' A' ' 300' ' ' LEU . 0.0 OUTLIER -58.98 -29.75 67.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.747 0.308 . . . . 0.0 110.377 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 297' ' ' THR . . . . . 0.563 ' OG1' ' O ' ' A' ' 293' ' ' LEU . 3.7 m -63.83 -56.06 18.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.249 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 298' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.65 -48.6 79.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -54.42 -45.69 73.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.292 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 300' ' ' LEU . . . . . 0.703 HD23 ' NH1' ' A' ' 296' ' ' ARG . 0.1 OUTLIER -57.62 -51.68 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 301' ' ' GLY . . . . . . . . . . . . . . . -50.87 -49.76 40.54 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 302' ' ' TYR . . . . . 0.489 ' CZ ' ' HG3' ' A' ' 306' ' ' LYS . 5.2 t80 -57.4 -42.78 82.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.299 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 303' ' ' THR . . . . . . . . . . . . . 80.9 m -60.27 -51.76 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.367 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.508 HG12 HD12 ' A' ' 308' ' ' LEU . 1.9 t -56.0 -37.8 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.267 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -61.75 -56.56 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.419 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 306' ' ' LYS . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 302' ' ' TYR . 17.5 mmtm -55.8 -54.86 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.34 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -57.6 -30.88 65.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.855 ' CD2' HG11 ' A' ' 223' ' ' VAL . 1.1 mt -63.97 -55.26 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.363 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 309' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.84 -39.8 82.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.428 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 310' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.18 -71.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 311' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 311' ' ' LEU . 22.5 mt -41.94 -36.79 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 34.9 t -68.14 -69.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.607 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -56.1 -8.84 2.57 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.582 ' O ' HD11 ' A' ' 323' ' ' LEU . 95.7 mtt-85 -96.39 -69.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.722 0.296 . . . . 0.0 110.594 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 315' ' ' ILE . . . . . 0.541 ' C ' ' O ' ' A' ' 314' ' ' ARG . 3.6 mm -26.29 -68.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 316' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 318' ' ' ALA . 15.9 m -28.46 148.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.497 ' O ' ' HB3' ' A' ' 318' ' ' ALA . 8.4 ttm-85 61.64 -70.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 318' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 316' ' ' SER . . . 68.9 73.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 319' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -163.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 320' ' ' HIS . . . . . 0.564 ' O ' ' OE1' ' A' ' 239' ' ' GLU . 2.2 t-80 -90.31 -27.93 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.555 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 321' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 323' ' ' LEU . 88.2 m-20 -67.96 44.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 322' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 320' ' ' HIS . 11.4 tm-20 58.87 -76.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.82 ' C ' HD23 ' A' ' 323' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.501 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 t -64.44 118.05 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.526 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 5' ' ' LYS . 87.0 mtt-85 -155.87 73.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.553 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 6' ' ' ASN . 93.2 mt-10 -74.64 29.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.497 ' H ' ' C ' ' A' ' 3' ' ' ARG . 92.2 mttt -47.04 93.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' GLU . 22.5 m120 -64.34 92.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.585 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -71.18 -45.76 14.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 51.7 Cg_exo -51.12 156.48 5.12 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.733 2.289 . . . . 0.0 112.124 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -146.95 72.02 12.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.73 132.33 21.08 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.787 2.325 . . . . 0.0 112.13 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.6 p -161.58 60.25 1.16 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -72.59 157.63 52.19 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.852 2.368 . . . . 0.0 112.108 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -139.27 160.65 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.711 ' HE ' ' H ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -89.36 -179.19 5.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -138.67 121.15 16.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.6 p -83.69 -167.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.85 98.72 0.13 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -75.14 89.97 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.653 ' OE1' ' NE1' ' A' ' 29' ' ' TRP . 92.9 mt-10 -66.53 -20.19 65.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.558 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -129.22 -167.79 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.8 mtm105 -134.83 24.36 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.661 ' SD ' ' OE2' ' A' ' 56' ' ' GLU . 21.3 mtt -143.61 140.52 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -56.5 -31.6 64.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 3.3 mtpt -65.2 -59.22 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.481 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.77 -29.36 66.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.275 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -72.63 -65.4 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.493 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 6.1 pt20 -50.94 -40.31 57.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.446 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD11 HD23 ' A' ' 90' ' ' LEU . 7.9 tp -64.53 -64.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.37 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.73 ' NE1' ' NE2' ' A' ' 33' ' ' GLN . 47.9 t-105 -44.96 -59.43 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.166 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -50.34 -42.48 53.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.468 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.51 ' O ' HD13 ' A' ' 35' ' ' LEU . 21.4 mttt -58.84 -59.57 5.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.455 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.7 -44.63 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.339 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.73 ' NE2' ' NE1' ' A' ' 29' ' ' TRP . 92.4 mt-30 -57.18 -38.65 73.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.413 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.518 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -72.61 -30.56 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 31' ' ' LYS . 8.2 mp -77.41 -23.87 50.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CE1' ' O ' ' A' ' 34' ' ' ARG . 13.2 m80 65.03 117.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 mt -135.39 155.69 78.42 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -43.21 158.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.789 2.326 . . . . 0.0 112.126 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.6 -40.15 18.86 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.753 2.302 . . . . 0.0 111.979 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.29 -41.38 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.295 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 45' ' ' LEU . 36.8 mmt180 -67.78 -38.86 83.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.358 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.11 -41.84 90.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.363 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.5 -60.2 3.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.314 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -58.88 -34.38 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.297 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 27.0 tp -65.93 -60.56 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.38 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -48.03 -48.73 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.274 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.96 -57.8 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.173 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -48.83 -47.42 42.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.137 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 49' ' ' LEU . 71.6 mt -52.98 -47.63 68.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.028 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -55.6 -50.05 71.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.079 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.536 HD13 ' N ' ' A' ' 51' ' ' ILE . 5.1 mm -53.25 -43.1 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.071 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.551 ' NE2' HD22 ' A' ' 81' ' ' LEU . 13.1 tt0 -59.23 -48.77 80.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.343 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 85.1 tt0 -56.58 -39.1 72.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.27 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -67.49 -37.14 82.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.363 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.3 -56.32 7.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.614 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.675 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 13.1 pt-20 -54.52 -45.5 73.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.402 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.564 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.4 -60.86 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.161 179.641 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.23 -29.59 47.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.232 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.628 ' HA ' HD23 ' A' ' 62' ' ' LEU . 83.3 t90 -68.17 -64.82 0.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' HG3' ' N ' ' A' ' 61' ' ' LYS . 9.3 ptmt -44.78 -46.37 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.813 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.536 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 68.9 mttt -55.83 -56.34 21.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.517 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.776 HD11 ' CB ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -58.06 -32.82 68.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' N ' ' HG ' ' A' ' 62' ' ' LEU . 10.4 ttpp -64.54 -43.13 94.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.058 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.81 -38.0 87.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.09 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -76.7 -21.34 55.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.295 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.57 77.55 0.82 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 67' ' ' LEU . 6.7 mt -135.86 -25.22 1.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.782 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.776 ' CB ' HD11 ' A' ' 62' ' ' LEU . 1.8 t70 -67.85 95.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.452 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.636 ' O ' ' N ' ' A' ' 71' ' ' GLY . 73.5 mm-40 -96.07 -77.18 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 72' ' ' GLU . 53.9 m-20 -44.98 -8.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.643 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.636 ' N ' ' O ' ' A' ' 69' ' ' GLU . . . 62.08 -1.06 1.49 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 70' ' ' ASP . 36.0 tp10 -59.08 -29.71 67.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.449 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -62.1 -64.57 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.262 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 77.1 tt0 -55.87 -35.38 66.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.341 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.15 69.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.443 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.791 ' HE ' HD21 ' A' ' 80' ' ' ASN . 0.0 OUTLIER -71.98 -42.32 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.061 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.581 HD13 ' OD1' ' A' ' 55' ' ' ASP . 16.1 tp -66.17 -43.37 87.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.076 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.0 mt -70.72 -43.96 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.327 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.764 ' O ' HG23 ' A' ' 83' ' ' VAL . 74.7 ttt-85 -60.78 -42.39 97.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.791 HD21 ' HE ' ' A' ' 76' ' ' ARG . 18.0 m-20 -70.6 -36.6 73.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.486 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.595 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -59.75 -55.4 34.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.42 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.94 -41.33 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.523 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 79' ' ' ARG . 42.5 t -57.86 -55.1 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.428 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.58 -42.44 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.509 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 81' ' ' LEU . 2.5 mp -60.55 -62.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.483 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.66 38.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -65.04 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.502 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.453 ' HB3' HD13 ' A' ' 90' ' ' LEU . 48.7 m-85 -63.59 -14.38 50.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.509 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.77 15.58 61.23 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.564 HD23 HD11 ' A' ' 28' ' ' LEU . 6.8 mp -86.65 6.25 32.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.544 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -75.46 -84.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.546 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.44 -103.7 2.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -168.97 124.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.572 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -88.0 147.3 25.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -87.28 174.51 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -148.09 121.62 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -96.08 143.28 27.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.537 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -161.64 133.13 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 100' ' ' THR . 12.8 p -162.78 156.77 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.556 ' O ' ' O ' ' A' ' 101' ' ' SER . 77.4 p -141.21 -18.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.556 ' O ' ' O ' ' A' ' 100' ' ' THR . 18.9 m 47.67 171.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -165.27 152.43 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.4 m -166.95 89.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.539 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.645 HD23 ' N ' ' A' ' 105' ' ' SER . 3.9 tt -174.24 116.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.645 ' N ' HD23 ' A' ' 104' ' ' LEU . 35.7 t -145.26 -77.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.567 ' O ' ' O ' ' A' ' 107' ' ' THR . . . 86.48 -67.84 3.4 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.657 HG22 ' N ' ' A' ' 108' ' ' GLN . 48.9 m 48.39 169.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.523 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.657 ' N ' HG22 ' A' ' 107' ' ' THR . 6.0 pt20 -175.65 86.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.596 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -78.92 165.86 23.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.07 -80.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.547 ' C ' HD22 ' A' ' 112' ' ' LEU . . . 171.18 -96.78 0.11 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.952 HD22 ' N ' ' A' ' 112' ' ' LEU . 1.4 mm? -106.07 65.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.587 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.549 ' O ' ' OE2' ' A' ' 118' ' ' GLU . 88.4 m-20 -107.33 -77.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -52.73 123.11 30.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.508 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.519 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 75.2 Cg_exo -43.2 -34.63 4.49 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.61 2.207 . . . . 0.0 112.147 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -30.89 64.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 mt -86.92 -58.89 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.702 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 5.9 mt-10 -56.03 -24.92 42.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.448 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -60.43 -54.59 43.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.379 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.943 HD22 ' CZ ' ' A' ' 142' ' ' PHE . 3.8 tp -70.47 -47.94 58.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.917 ' CE3' HD22 ' A' ' 135' ' ' LEU . 12.9 t-105 -51.75 -46.37 64.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.642 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.702 ' CD2' ' O ' ' A' ' 118' ' ' GLU . 7.8 m170 -75.46 -32.16 60.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.554 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 127' ' ' SER . 0.7 OUTLIER -54.89 -50.83 67.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.652 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 130' ' ' PHE . . . -80.12 -46.74 15.92 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.794 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.627 ' CE ' ' HE1' ' A' ' 121' ' ' TRP . 15.8 ttmt -48.86 -31.88 7.91 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 128' ' ' GLY . 4.5 m -103.29 -47.12 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 17.6 t -44.48 -23.22 0.1 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.883 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 126' ' ' THR . . . -154.03 -85.92 0.05 OUTLIER Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.031 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.702 ' O ' ' N ' ' A' ' 131' ' ' SER . 1.8 pttp -178.58 20.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' A' ' 134' ' ' GLU . 3.0 m-30 -59.62 50.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.508 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.702 ' N ' ' O ' ' A' ' 129' ' ' LYS . 12.7 p -107.46 108.95 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 111.176 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.539 ' O ' ' CG ' ' A' ' 136' ' ' ASP . . . 128.77 -95.77 0.39 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.549 -0.621 . . . . 0.0 111.549 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.5 mp0 -79.36 -43.39 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.739 0.304 . . . . 0.0 110.771 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.694 ' CD ' ' H ' ' A' ' 134' ' ' GLU . 4.5 mp0 -65.11 -48.76 72.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.917 HD22 ' CE3' ' A' ' 121' ' ' TRP . 1.2 mt -65.38 -42.85 92.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.055 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.539 ' CG ' ' O ' ' A' ' 132' ' ' GLY . 52.9 m-20 -54.36 -48.05 71.9 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -58.96 -48.2 82.38 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 142' ' ' PHE . 7.0 mt -48.55 -49.08 37.89 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.679 ' O ' ' CD2' ' A' ' 143' ' ' LEU . 0.1 OUTLIER -64.52 -41.92 96.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.249 178.239 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.741 ' O ' ' CG ' ' A' ' 144' ' ' HIS . 33.1 mtt-85 -45.94 -53.24 10.27 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 119.166 -1.014 . . . . 0.0 108.557 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.863 ' CD ' HD21 ' A' ' 204' ' ' LEU . 10.6 pt-20 -78.79 -30.95 45.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.105 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.943 ' CZ ' HD22 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -65.51 -59.68 3.73 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.612 -179.349 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.679 ' CD2' ' O ' ' A' ' 139' ' ' TRP . 0.6 OUTLIER -67.09 -36.39 81.86 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.098 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.741 ' CG ' ' O ' ' A' ' 140' ' ' ARG . 41.1 m170 -60.89 -33.89 73.79 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.335 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.946 ' O ' HG13 ' A' ' 149' ' ' VAL . 1.7 m-70 -71.5 -40.32 70.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.548 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.472 ' HZ2' ' HB3' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -61.36 -43.94 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 110.925 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.68 ' OE1' ' N ' ' A' ' 148' ' ' LYS . 1.2 pp20? -72.72 -42.89 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.513 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.68 ' N ' ' OE1' ' A' ' 147' ' ' GLU . 0.2 OUTLIER -71.7 -35.01 70.11 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.234 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.946 HG13 ' O ' ' A' ' 145' ' ' HIS . 26.6 m -71.71 -54.07 18.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.047 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.959 ' O ' HG23 ' A' ' 154' ' ' VAL . 0.3 OUTLIER -70.1 -20.19 63.21 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 119.561 -0.855 . . . . 0.0 110.459 -179.718 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.668 ' N ' ' CD2' ' A' ' 150' ' ' HIS . 13.9 mm-40 -72.82 -53.13 12.32 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.625 ' CE1' ' CE ' ' A' ' 193' ' ' LYS . 13.6 m-85 -60.0 -41.94 93.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.553 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.466 ' N ' HD22 ' A' ' 153' ' ' ASN . 2.5 m120 -60.24 -43.46 96.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.578 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 150' ' ' HIS . 75.5 t -60.41 -37.17 73.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.81 -51.97 49.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.397 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.845 HD12 ' C ' ' A' ' 156' ' ' LEU . 0.3 OUTLIER -60.63 -38.23 84.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.881 0.372 . . . . 0.0 110.086 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.533 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 88.9 mt-10 -73.98 -23.87 59.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.733 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 22.5 m -75.95 -46.94 27.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.223 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 1.008 HD12 ' N ' ' A' ' 160' ' ' SER . 4.3 pp -69.92 -36.46 75.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.171 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 1.008 ' N ' HD12 ' A' ' 159' ' ' LEU . 59.3 m -47.36 -42.51 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.256 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.654 ' O ' ' N ' ' A' ' 163' ' ' GLU . 28.9 mtp180 -75.09 -25.91 58.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.559 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 162' ' ' THR . 30.5 m -61.26 48.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.654 ' N ' ' O ' ' A' ' 161' ' ' ARG . 29.5 tp10 -150.88 -32.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.388 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -118.88 28.15 8.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.322 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 6.9 tt -55.11 155.24 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.623 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.587 ' O ' ' HG2' ' A' ' 167' ' ' GLU . 0.2 OUTLIER 179.97 24.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.842 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 166' ' ' HIS . 0.1 OUTLIER 44.41 40.73 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.197 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ASN . . . . . 0.777 ' O ' HG23 ' A' ' 169' ' ' VAL . 16.8 p30 -145.21 -85.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 168' ' ' ASN . 36.5 t -164.22 135.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.509 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 13.7 tt -55.16 154.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.82 163.7 17.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.503 ' O ' ' OG ' ' A' ' 173' ' ' SER . 64.1 Cg_exo -45.55 111.43 0.32 Allowed 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.771 2.314 . . . . 0.0 112.143 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . 0.503 ' OG ' ' O ' ' A' ' 172' ' ' PRO . 4.2 m 174.91 110.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.603 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -49.54 -34.93 18.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.504 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.549 ' O ' ' O ' ' A' ' 176' ' ' SER . 0.9 OUTLIER -150.69 52.79 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.451 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.672 ' O ' ' N ' ' A' ' 178' ' ' ILE . 3.4 m 47.47 108.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -47.98 79.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.635 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.701 HG22 ' N ' ' A' ' 179' ' ' LYS . 5.5 mt -92.1 169.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.512 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.701 ' N ' HG22 ' A' ' 178' ' ' ILE . 0.0 OUTLIER -92.44 20.6 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.587 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.431 ' H ' HG22 ' A' ' 178' ' ' ILE . . . 61.69 94.46 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.651 ' O ' ' NE2' ' A' ' 184' ' ' HIS . 15.5 t -176.04 -48.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.581 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.644 ' C ' ' H ' ' A' ' 184' ' ' HIS . 1.5 t -118.59 169.92 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.752 ' O ' HD23 ' A' ' 183' ' ' LEU . 2.4 tt 65.12 -21.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' HIS . . . . . 0.818 ' CD2' ' H ' ' A' ' 185' ' ' SER . 0.4 OUTLIER -65.97 -49.04 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.712 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . 0.818 ' H ' ' CD2' ' A' ' 184' ' ' HIS . 85.5 p -71.09 -30.07 66.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.305 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' ARG . . . . . 0.557 ' O ' HD23 ' A' ' 190' ' ' LEU . 14.9 mmm180 -70.96 -46.19 62.81 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.007 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.806 ' ND1' ' N ' ' A' ' 188' ' ' THR . 0.2 OUTLIER -71.54 -36.65 71.05 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.017 179.459 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.806 ' N ' ' ND1' ' A' ' 187' ' ' HIS . 53.4 m -62.12 -47.82 82.87 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -60.16 -44.99 94.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.82 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 152' ' ' TYR . 2.3 mm? -56.25 -40.71 74.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.315 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' LYS . . . . . 0.562 ' O ' ' CG ' ' A' ' 195' ' ' ARG . 53.4 mtpt -72.38 -29.11 63.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.718 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 195' ' ' ARG . 70.7 tt0 -68.92 -49.72 55.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.904 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . 0.625 ' CE ' ' CE1' ' A' ' 152' ' ' TYR . 0.0 OUTLIER -72.69 -42.65 64.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.048 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.822 ' C ' HD12 ' A' ' 194' ' ' LEU . 0.4 OUTLIER -67.19 -42.75 83.67 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.759 -179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' ARG . . . . . 0.758 HH11 ' NE2' ' A' ' 199' ' ' GLN . 0.3 OUTLIER -65.58 -39.39 91.56 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.264 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 195' ' ' ARG . 37.7 m -61.53 -41.03 96.73 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' ILE . . . . . 0.711 HG23 ' CE1' ' A' ' 145' ' ' HIS . 36.8 mt -67.05 -36.88 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.307 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' ASN . . . . . 0.478 ' O ' ' HG ' ' A' ' 201' ' ' LEU . 18.3 t30 -59.69 -49.6 77.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.451 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.758 ' NE2' HH11 ' A' ' 195' ' ' ARG . 33.7 mt-30 -58.78 -40.87 85.25 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' GLY . . . . . . . . . . . . . . . -56.28 -51.34 56.67 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.721 HD12 ' C ' ' A' ' 201' ' ' LEU . 0.4 OUTLIER -60.06 -36.42 77.3 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . 0.617 ' OD2' ' O ' ' A' ' 199' ' ' GLN . 0.0 OUTLIER -59.76 -40.26 87.58 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.072 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 204' ' ' LEU . 0.9 OUTLIER -63.39 -40.68 97.87 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.863 HD21 ' CD ' ' A' ' 141' ' ' GLU . 0.5 OUTLIER -55.37 -40.92 71.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.164 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -62.64 -50.99 69.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.901 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . 0.76 ' NH2' HE22 ' A' ' 210' ' ' GLN . 43.5 mtp85 -61.13 -29.09 69.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.08 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' VAL . . . . . 0.71 ' O ' ' N ' ' A' ' 211' ' ' GLY . 2.2 t -67.84 -46.02 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.271 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.88 -26.89 62.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.448 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -97.87 -14.98 20.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.956 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' GLN . . . . . 0.76 HE22 ' NH2' ' A' ' 206' ' ' ARG . 6.7 mt-30 -136.14 -33.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.758 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' GLY . . . . . 0.71 ' N ' ' O ' ' A' ' 207' ' ' VAL . . . -66.15 20.93 0.16 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' TYR . . . . . 0.62 ' H ' ' C ' ' A' ' 210' ' ' GLN . 16.1 t80 -56.32 152.52 11.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 0.0 110.641 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' SER . . . . . . . . . . . . . 27.5 t -45.04 149.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.593 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.872 HG23 ' H ' ' A' ' 215' ' ' GLU . 7.8 t -161.57 -62.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' GLU . . . . . 0.872 ' H ' HG23 ' A' ' 214' ' ' THR . 83.8 tt0 -158.63 145.06 17.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 217' ' ' GLU . . . 175.38 110.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 216' ' ' ALA . 78.4 mt-10 -160.12 34.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -122.04 -62.02 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . 0.636 ' O ' HD13 ' A' ' 224' ' ' ILE . 77.2 mt-10 -69.99 -125.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . 0.432 ' O ' ' CD ' ' A' ' 220' ' ' GLU . 0.0 OUTLIER -126.89 56.01 16.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.582 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 220' ' ' GLU . 49.5 Cg_endo -72.6 -55.45 0.11 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.771 2.314 . . . . 0.0 112.156 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -140.22 -26.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' VAL . . . . . 0.855 HG11 ' CD2' ' A' ' 308' ' ' LEU . 0.9 OUTLIER -64.97 -86.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' ILE . . . . . 0.766 ' H ' HG23 ' A' ' 223' ' ' VAL . 1.8 mp -41.51 -25.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.282 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 223' ' ' VAL . 17.1 t70 -73.4 -49.8 25.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.105 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.409 HD23 HD21 ' A' ' 229' ' ' LEU . 8.0 mt -60.03 -34.78 73.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.094 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.449 ' N ' ' CD1' ' A' ' 227' ' ' TRP . 16.7 m0 -71.87 -44.38 63.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.308 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.2 -46.31 82.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.619 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.635 HD12 ' C ' ' A' ' 229' ' ' LEU . 1.1 pp -76.48 -29.13 56.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 229' ' ' LEU . . . -32.64 -34.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 229' ' ' LEU . 4.5 tt0 -50.12 -32.92 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.579 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 234' ' ' ASN . 46.1 m -91.56 -13.92 31.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 234' ' ' ASN . . . -68.6 52.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 233' ' ' ALA . 0.7 OUTLIER 31.95 85.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.579 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 235' ' ' LEU . 32.4 mt -116.46 -164.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 237' ' ' ASP . 0.0 OUTLIER -140.64 147.1 38.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 236' ' ' THR . 15.0 t70 -33.7 -72.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 239' ' ' GLU . 8.5 mtpm? -42.11 -74.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.293 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' GLU . . . . . 0.564 ' OE1' ' O ' ' A' ' 320' ' ' HIS . 0.6 OUTLIER -40.07 -41.17 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.069 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' LEU . . . . . 0.684 ' O ' ' N ' ' A' ' 243' ' ' PHE . 4.2 mt -63.83 -78.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.179 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 240' ' ' LEU . 25.4 tp10 -26.64 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.319 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 240' ' ' LEU . . . -64.33 -48.39 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.189 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' PHE . . . . . 0.684 ' N ' ' O ' ' A' ' 240' ' ' LEU . 0.0 OUTLIER -66.16 -26.95 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.457 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.23 -59.3 3.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.166 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 246' ' ' GLU . 10.2 pt-20 -55.92 -50.1 71.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.194 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 245' ' ' GLU . 49.1 tp10 -53.17 -52.97 57.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.22 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 243' ' ' PHE . 3.0 mm? -55.33 -58.15 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.216 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 247' ' ' LEU . 70.2 tttt -40.2 -52.57 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.115 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -59.17 -40.46 85.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.215 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 253' ' ' LYS . 11.6 t80 -66.74 -72.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.467 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' GLU . . . . . 0.587 ' CD ' ' N ' ' A' ' 252' ' ' ALA . 1.5 pp20? -39.87 -40.39 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.378 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . 0.587 ' N ' ' CD ' ' A' ' 251' ' ' GLU . . . -67.79 -41.38 83.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.302 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 250' ' ' PHE . 0.1 OUTLIER -63.3 -59.49 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' ILE . . . . . 0.683 HG23 ' N ' ' A' ' 255' ' ' GLU . 0.5 OUTLIER -53.62 -52.69 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' GLU . . . . . 0.683 ' N ' HG23 ' A' ' 254' ' ' ILE . 9.6 tm-20 -49.28 -51.7 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.256 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . 0.502 ' HB3' HH22 ' A' ' 296' ' ' ARG . 54.6 mttm -55.45 -46.62 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' HIS . . . . . 0.653 ' NE2' ' OE1' ' A' ' 261' ' ' GLN . 4.8 t-80 -53.52 -42.28 67.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.189 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.1 -46.87 85.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.292 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -60.31 -48.67 80.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.302 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' TYR . . . . . 0.593 ' CE2' ' NH2' ' A' ' 296' ' ' ARG . 37.1 m-85 -66.89 -26.11 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.347 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' GLN . . . . . 0.653 ' OE1' ' NE2' ' A' ' 257' ' ' HIS . 0.1 OUTLIER -67.56 -53.1 31.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.195 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' LYS . . . . . 0.46 ' HB2' ' HZ3' ' A' ' 262' ' ' LYS . 4.5 ttmm -63.07 -49.62 73.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.201 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' A' ' 263' ' ' GLN . 5.7 tp-100 -62.02 -31.68 72.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.255 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' LEU . . . . . 0.461 ' CB ' ' O ' ' A' ' 260' ' ' TYR . 15.8 tp -66.51 -47.78 71.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.338 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -61.31 -50.52 72.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.357 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . 48.7 mt -56.89 -50.2 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.375 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.27 88.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.398 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -57.58 -49.76 75.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.428 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.41 -53.69 51.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.426 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -35.82 65.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.493 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.567 HD12 ' C ' ' A' ' 271' ' ' LEU . 2.1 tp -70.32 -63.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.387 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' ARG . . . . . 0.423 ' N ' ' HG ' ' A' ' 271' ' ' LEU . 10.7 mmm180 -43.3 -41.49 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.465 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -75.09 -35.96 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.498 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . 0.478 ' O ' HG12 ' A' ' 277' ' ' VAL . . . -63.62 -26.6 68.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' GLU . . . . . 0.541 ' OE2' HG13 ' A' ' 283' ' ' VAL . 6.3 mm-40 -71.9 -23.37 61.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.532 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' SER . . . . . . . . . . . . . 72.5 m -83.77 -3.53 57.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' VAL . . . . . 0.572 HG13 ' N ' ' A' ' 278' ' ' GLY . 7.3 p -45.7 -46.98 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.572 ' N ' HG13 ' A' ' 277' ' ' VAL . . . 89.67 59.74 1.5 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 279' ' ' ASP . 18.2 t0 -174.51 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 110.602 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' GLY . . . . . 0.447 ' HA2' HH21 ' A' ' 282' ' ' ARG . . . 86.82 106.1 0.82 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . 0.764 ' H ' ' NH2' ' A' ' 282' ' ' ARG . 42.5 mt-10 -147.62 -61.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' ARG . . . . . 0.842 ' H ' ' NE ' ' A' ' 282' ' ' ARG . 0.0 OUTLIER -101.33 5.21 42.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' VAL . . . . . 0.715 ' N ' ' HE ' ' A' ' 282' ' ' ARG . 34.8 t -62.52 -40.39 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' SER . . . . . . . . . . . . . 20.4 t -56.75 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.588 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' ARG . . . . . . . . . . . . . 30.6 ptt85 -48.64 -43.28 36.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . 0.565 ' OG ' ' O ' ' A' ' 282' ' ' ARG . 64.4 m -52.94 -56.63 14.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.515 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.01 -33.56 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.499 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -61.72 -70.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.457 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' LYS . . . . . 0.474 ' CE ' HD13 ' A' ' 293' ' ' LEU . 0.0 OUTLIER -56.28 -27.73 56.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.414 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -61.05 -66.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -55.26 -43.56 74.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.369 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' LEU . . . . . 0.739 ' O ' HD12 ' A' ' 292' ' ' LEU . 0.7 OUTLIER -53.7 -59.13 5.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.285 179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' LEU . . . . . 0.577 HD11 ' CD1' ' A' ' 260' ' ' TYR . 2.7 tp -51.07 -47.45 61.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.321 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' GLU . . . . . 0.54 ' O ' ' OE1' ' A' ' 294' ' ' GLU . 0.0 OUTLIER -57.25 -42.07 80.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.329 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -59.27 -56.71 23.65 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' ARG . . . . . 0.703 ' NH1' HD23 ' A' ' 300' ' ' LEU . 0.0 OUTLIER -58.98 -29.75 67.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.747 0.308 . . . . 0.0 110.377 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . 0.563 ' OG1' ' O ' ' A' ' 293' ' ' LEU . 3.7 m -63.83 -56.06 18.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.249 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.65 -48.6 79.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -54.42 -45.69 73.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.292 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . 0.703 HD23 ' NH1' ' A' ' 296' ' ' ARG . 0.1 OUTLIER -57.62 -51.68 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' GLY . . . . . . . . . . . . . . . -50.87 -49.76 40.54 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' TYR . . . . . 0.489 ' CZ ' ' HG3' ' A' ' 306' ' ' LYS . 5.2 t80 -57.4 -42.78 82.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.299 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' THR . . . . . . . . . . . . . 80.9 m -60.27 -51.76 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.367 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.508 HG12 HD12 ' A' ' 308' ' ' LEU . 1.9 t -56.0 -37.8 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.267 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -61.75 -56.56 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.419 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 302' ' ' TYR . 17.5 mmtm -55.8 -54.86 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.34 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -57.6 -30.88 65.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.855 ' CD2' HG11 ' A' ' 223' ' ' VAL . 1.1 mt -63.97 -55.26 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.363 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.84 -39.8 82.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.428 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -69.18 -71.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 311' ' ' LEU . 22.5 mt -41.94 -36.79 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 34.9 t -68.14 -69.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.607 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -56.1 -8.84 2.57 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.582 ' O ' HD11 ' A' ' 323' ' ' LEU . 95.7 mtt-85 -96.39 -69.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.722 0.296 . . . . 0.0 110.594 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' ILE . . . . . 0.541 ' C ' ' O ' ' A' ' 314' ' ' ARG . 3.6 mm -26.29 -68.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 318' ' ' ALA . 15.9 m -28.46 148.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.497 ' O ' ' HB3' ' A' ' 318' ' ' ALA . 8.4 ttm-85 61.64 -70.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 316' ' ' SER . . . 68.9 73.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -163.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' HIS . . . . . 0.564 ' O ' ' OE1' ' A' ' 239' ' ' GLU . 2.2 t-80 -90.31 -27.93 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.555 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 323' ' ' LEU . 88.2 m-20 -67.96 44.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 320' ' ' HIS . 11.4 tm-20 58.87 -76.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.82 ' C ' HD23 ' A' ' 323' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.501 179.949 . . . . . . . . 2 2 . 1 stop_ save_