data_2msy_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 2msy _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 core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.72 HG23 ' H ' ' A' ' 20' ' ' GLN . 11.1 t -101.06 159.85 14.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -67.4 -33.14 74.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.496 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.4 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 6.5 t80 -65.98 -45.15 82.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.981 0.42 . . . . 0.0 111.331 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.72 ' H ' HG23 ' A' ' 17' ' ' THR . 25.6 mt-30 -58.38 -57.51 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.312 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -62.47 -23.19 66.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.487 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.404 HD11 ' HZ1' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -60.8 -53.77 53.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.191 -179.516 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.423 ' HG3' HD11 ' A' ' 46' ' ' LEU . 13.0 mm-40 -67.07 -32.23 73.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.28 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.36 -39.9 81.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.385 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.52 -27.98 37.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.675 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HZ1' HD11 ' A' ' 22' ' ' LEU . 28.8 mmtp -63.07 -40.09 96.66 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.71 -37.72 48.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.726 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -51.06 -23.23 2.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.476 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.49 -62.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.117 0.484 . . . . 0.0 112.098 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -105.01 -53.5 2.65 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.492 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -78.62 65.55 3.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.263 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 71.3 mtp -56.2 -33.16 65.05 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.333 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -101.72 163.41 12.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.307 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -111.7 122.04 46.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 111.373 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -115.23 164.94 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -54.1 -35.09 61.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 111.078 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.02 -60.03 4.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -62.79 -58.88 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.442 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' CZ ' ' HD3' ' A' ' 54' ' ' LYS . 59.3 mtp180 -41.47 -38.99 1.4 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.806 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -71.11 -59.31 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.93 -47.78 83.84 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 10.1 m -62.63 -23.68 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 111.275 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 48' ' ' LEU . . . -79.85 -24.69 41.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -79.78 -30.64 40.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.144 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.3 m -88.55 -29.73 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.27 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.534 ' HB3' ' HG ' ' A' ' 48' ' ' LEU . 2.0 tp -95.47 0.1 52.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.8 m120 57.47 36.65 27.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.634 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.534 ' HG ' ' HB3' ' A' ' 46' ' ' LEU . 30.0 mt -114.37 179.03 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.823 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.486 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 25.8 m -93.81 149.48 21.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.647 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -50.77 -39.1 51.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -85.81 -31.33 22.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.445 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.486 ' HB2' ' HB ' ' A' ' 49' ' ' THR . 8.8 tt0 -55.57 -45.22 77.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.921 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -72.07 -40.11 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 39' ' ' ARG . 37.4 ttpt -63.96 -49.69 71.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.912 0.387 . . . . 0.0 110.83 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.442 HG22 ' ND2' ' A' ' 59' ' ' ASN . 77.2 mt -61.61 -27.42 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.812 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -62.15 -47.94 82.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.683 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -70.06 -42.43 72.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.828 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 62' ' ' MET . 36.0 tt0 -54.81 -57.57 11.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.174 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.442 ' ND2' HG22 ' A' ' 55' ' ' ILE . 92.8 m-20 -51.87 -47.93 64.27 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.371 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -52.35 -28.85 21.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -83.76 -43.24 15.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.45 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 37.1 mtp -54.05 -46.68 72.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.544 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.707 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.0 p90 . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.969 0.414 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.641 HG23 ' H ' ' A' ' 20' ' ' GLN . 15.2 t -100.99 170.16 8.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.051 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -66.1 -32.81 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.674 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -48.25 38.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.781 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.641 ' H ' HG23 ' A' ' 17' ' ' THR . 17.4 pt20 -62.65 -38.72 91.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.32 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -77.27 -23.69 51.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.455 ' HG ' ' N ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -63.23 -54.52 36.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.504 -179.73 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.65 ' HB2' HD22 ' A' ' 46' ' ' LEU . 14.8 mm-40 -67.24 -40.55 86.32 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.05 -36.75 80.4 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -80.73 -42.44 21.88 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -58.38 -31.22 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.87 -34.25 18.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.639 0.257 . . . . 0.0 111.623 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -55.98 -23.08 30.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.331 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.33 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -105.96 -50.21 3.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.061 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -75.27 63.91 1.42 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.913 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.7 mtt -70.46 -21.21 62.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.097 0.475 . . . . 0.0 110.279 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -148.3 124.57 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.199 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 38' ' ' ARG . 96.1 mt -127.02 -179.67 4.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.078 0.466 . . . . 0.0 111.698 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -101.57 177.53 4.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.13 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -35.43 72.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -60.99 -53.24 59.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.478 ' HB3' HD11 ' A' ' 34' ' ' LEU . 6.0 mmt180 -62.89 -45.09 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.057 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -57.73 -25.68 60.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.432 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 83.9 t80 -76.02 -58.52 3.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.542 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.78 -41.09 70.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.323 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 m -71.86 -25.03 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.85 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -82.29 -25.52 33.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.632 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -74.28 -30.82 62.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.689 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 m -88.36 -27.58 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.65 HD22 ' HB2' ' A' ' 23' ' ' GLU . 64.2 mt -92.81 -4.73 52.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 58.89 31.94 21.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.639 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 28.6 mt -113.42 179.42 3.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.75 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.421 ' H ' HE21 ' A' ' 52' ' ' GLN . 20.6 m -95.2 144.96 25.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 40' ' ' TYR . 43.6 mt-10 -52.96 -41.29 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.032 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 8.8 mpt_? -76.52 -33.24 58.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.421 HE21 ' H ' ' A' ' 49' ' ' THR . 9.5 tt0 -64.88 -26.41 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.348 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.1 t -76.04 -51.8 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.706 0.288 . . . . 0.0 111.451 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HB2' ' NZ ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -63.4 -45.05 92.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.411 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.3 mt -63.07 -32.59 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.261 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -61.9 -52.46 64.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.034 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -67.46 -36.75 81.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -58.26 -44.82 88.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.665 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -58.44 -45.76 87.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.34 -21.68 64.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -82.8 -30.16 29.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.3 mtp -69.29 -41.67 76.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.488 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.3 pttt . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.726 0.298 . . . . 0.0 110.807 -179.675 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.2 p90 . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 121.22 0.533 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -99.82 -176.53 3.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.124 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -82.34 -20.52 37.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.482 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -82.94 -43.52 16.38 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.046 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.484 ' HA ' HD22 ' A' ' 46' ' ' LEU . 80.3 mt-30 -59.65 -40.13 86.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.962 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -80.34 -23.64 40.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.424 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -62.08 -42.32 99.09 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.858 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.525 ' HB2' HD23 ' A' ' 46' ' ' LEU . 18.1 mm-40 -78.5 -44.11 25.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.362 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.91 -34.22 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.425 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.8 -28.55 50.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.552 0.215 . . . . 0.0 111.221 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 8.2 mmmm -56.86 -45.23 82.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -86.13 -28.56 23.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.474 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 65.3 t80 -53.39 -21.12 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.996 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -62.13 -57.64 10.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.273 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.35 -55.61 2.3 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.619 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.474 ' OD1' ' HA ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER 45.14 17.14 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.288 -178.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.5 mmt -65.32 -9.78 27.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 0.0 110.653 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -179.59 147.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.107 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.44 HD23 ' HE ' ' A' ' 39' ' ' ARG . 10.8 tp -135.8 144.05 45.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 t -120.33 161.58 20.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.317 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.84 -39.17 80.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.303 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.44 -29.44 67.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.672 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -79.92 -51.36 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.395 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' HE ' HD23 ' A' ' 34' ' ' LEU . 86.0 mtt180 -54.43 -28.73 46.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.11 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -73.31 -58.44 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.652 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -57.54 -44.2 85.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.692 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.35 -25.52 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.802 0.334 . . . . 0.0 111.074 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.2 -28.25 38.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -72.8 -32.3 65.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -88.04 -31.35 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.247 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.525 HD23 ' HB2' ' A' ' 23' ' ' GLU . 57.4 mt -90.21 -3.35 57.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 57.5 33.99 24.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.407 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 24.7 mt -115.04 179.35 3.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.803 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 m -94.57 148.32 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.514 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -53.24 -52.34 59.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 0.0 110.714 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -62.83 -38.84 92.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.729 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -52.21 -40.17 61.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.1 t -61.54 -47.57 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -63.68 -54.81 29.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.3 mt -52.87 -34.72 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.886 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -60.29 -56.26 23.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -64.38 -26.58 68.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -61.5 -53.52 55.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -57.44 -43.14 83.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.505 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -61.07 -22.42 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.619 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -83.25 -39.17 21.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.83 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.3 mtt -53.45 -47.26 69.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.533 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.666 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.5 p90 . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.749 0.309 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.485 HG23 HE21 ' A' ' 20' ' ' GLN . 14.8 t -99.88 168.73 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.057 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -61.75 -27.14 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.289 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -75.03 -42.02 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.324 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.485 HE21 HG23 ' A' ' 17' ' ' THR . 44.5 mt-30 -59.97 -57.58 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -61.45 -23.75 66.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.485 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -65.32 -51.7 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.572 -179.718 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.637 ' HB2' HD23 ' A' ' 46' ' ' LEU . 18.9 mm-40 -74.37 -34.69 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.81 -32.54 73.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.805 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.51 -35.95 33.92 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.388 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 72.8 mmtt -58.76 -37.39 76.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.684 0.278 . . . . 0.0 111.184 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -84.44 -21.85 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -65.67 -22.76 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.58 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.42 -58.58 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.22 0.534 . . . . 0.0 111.156 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -55.55 5.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.188 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m120 48.08 25.56 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.71 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.415 ' O ' ' HB3' ' A' ' 33' ' ' TYR . 4.6 mmt -79.37 14.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.599 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 32' ' ' MET . 76.8 t80 72.24 86.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.96 -179.96 1.33 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.741 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.9 t -106.88 175.83 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -58.58 -32.53 69.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.357 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -57.37 -41.97 81.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.716 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -75.35 -50.46 15.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.05 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -51.76 -31.55 27.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -72.06 -59.13 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.666 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.4 -43.56 83.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.756 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 m -69.72 -21.64 24.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.709 0.29 . . . . 0.0 111.275 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 48' ' ' LEU . . . -81.93 -26.59 33.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 110.786 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -73.61 -35.16 65.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.72 -26.03 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.975 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.637 HD23 ' HB2' ' A' ' 23' ' ' GLU . 50.6 mt -94.57 -4.18 48.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.825 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 59.49 32.85 21.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.972 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 22.3 mt -117.1 179.74 3.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.78 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.6 m -97.91 149.76 22.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.63 -34.02 61.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.936 0.398 . . . . 0.0 111.083 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -79.75 -53.41 6.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.339 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -44.93 -51.14 10.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.999 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.56 -40.16 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.686 0.279 . . . . 0.0 111.603 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -64.95 -62.29 1.65 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 111.041 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.0 mt -53.3 -31.7 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.394 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -60.88 -46.15 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -74.76 -33.06 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.986 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -54.6 -58.02 9.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.929 0.395 . . . . 0.0 110.943 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -64.88 -42.13 95.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.543 ' HD3' ' HD3' ' A' ' 63' ' ' LYS . 6.1 tpp180 -52.16 -24.74 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.188 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -82.75 -50.17 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.027 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.5 mtp -58.7 -45.19 90.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.761 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.543 ' HD3' ' HD3' ' A' ' 60' ' ' ARG . 22.3 ptmt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.158 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.5 p90 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.924 0.392 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 20' ' ' GLN . 15.1 t -100.08 179.14 4.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -74.07 -26.52 60.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.28 -38.09 51.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.592 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.553 ' H ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -64.51 -38.7 91.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.997 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -82.08 -23.21 35.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -64.01 -46.33 85.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.59 ' HB2' HD22 ' A' ' 46' ' ' LEU . 20.0 mm-40 -73.47 -41.23 63.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.349 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.38 -32.41 74.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.753 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.4 pt-20 -80.95 -33.45 33.96 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.224 -0.191 . . . . 0.0 111.374 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 37.4 mmtm -57.16 -42.07 80.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.297 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -84.56 -33.45 23.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -51.86 -22.5 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.084 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.13 -60.23 3.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 111.418 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -104.96 -52.45 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.666 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 p30 36.39 43.07 0.22 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.751 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -59.02 -38.74 79.97 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.205 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -168.05 141.05 3.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -107.36 117.72 34.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -113.88 171.88 7.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.699 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -56.56 -28.07 59.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.185 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.6 -54.65 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -66.68 -55.05 16.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.28 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -49.15 -34.51 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.885 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -73.0 -59.43 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.43 -42.93 71.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.558 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 m -72.06 -20.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.321 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.35 -27.89 34.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.386 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -76.14 -32.61 59.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.1 m -87.74 -30.63 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.394 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.59 HD22 ' HB2' ' A' ' 23' ' ' GLU . 81.5 mt -93.49 -3.21 53.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.37 37.75 28.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.013 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.47 HD21 HE22 ' A' ' 52' ' ' GLN . 31.1 mt -114.13 178.55 4.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.072 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.43 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 22.7 m -85.56 152.02 23.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.676 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.01 -36.22 70.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -85.52 -31.52 22.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.409 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.47 HE22 HD21 ' A' ' 48' ' ' LEU . 51.3 tt0 -52.7 -30.95 35.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.384 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.01 -61.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.683 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -62.22 -34.79 77.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.653 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.61 -30.88 50.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.83 0.348 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.16 -51.44 61.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -67.7 -38.58 83.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -58.33 -49.43 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.408 ' HA ' ' HE2' ' A' ' 62' ' ' MET . 94.2 m-20 -55.42 -46.05 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.977 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -62.22 -21.95 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -83.72 -37.1 23.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.408 ' HE2' ' HA ' ' A' ' 59' ' ' ASN . 34.1 mtm -55.63 -46.53 77.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.255 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.561 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.9 p90 . . . . . 0 N--CA 1.447 -0.622 0 CA-C-O 120.885 0.374 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.62 ' H ' ' NE2' ' A' ' 20' ' ' GLN . 25.1 p -95.52 169.12 10.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.15 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -74.6 -19.9 60.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.58 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -83.28 -47.77 11.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.092 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.62 ' NE2' ' H ' ' A' ' 17' ' ' THR . 8.5 pt20 -62.53 -33.52 75.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.166 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 t -82.3 -25.28 34.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.096 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -62.32 -39.49 93.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.529 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.4 mm-40 -82.99 -46.28 13.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.339 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.09 -26.11 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.549 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -80.43 -33.73 36.68 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.717 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 71.2 mmtt -55.67 -40.39 72.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.932 0.396 . . . . 0.0 110.512 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -84.95 -35.35 22.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.526 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -50.16 -21.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.332 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.49 -59.78 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.245 0.545 . . . . 0.0 111.007 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -105.18 -55.69 2.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.037 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 p30 39.2 22.91 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.918 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.4 mtp -92.18 -13.43 30.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.176 0.512 . . . . 0.0 110.354 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -152.78 132.78 13.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.546 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.482 HD22 ' HE ' ' A' ' 39' ' ' ARG . 10.8 tp -141.61 143.46 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.808 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -120.28 171.64 8.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -63.15 -35.43 80.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.73 -39.25 90.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.344 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -72.16 -48.92 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.745 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.482 ' HE ' HD22 ' A' ' 34' ' ' LEU . 94.5 mtt180 -54.69 -31.07 57.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.521 ' HA ' ' HG3' ' A' ' 50' ' ' GLU . 69.2 t80 -74.37 -59.12 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.928 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.82 -41.39 67.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.603 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 m -74.02 -22.78 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.282 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.34 -28.73 31.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.487 ' HA ' ' HE ' ' A' ' 44' ' ' ARG . 2.7 mmp_? -76.47 -29.86 57.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 m -87.72 -33.26 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.429 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 23' ' ' GLU . 74.6 mt -89.33 1.13 56.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.6 m120 58.47 32.19 21.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.1 mt -114.76 179.07 4.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.416 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 15.7 m -95.74 147.53 23.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.656 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.521 ' HG3' ' HA ' ' A' ' 40' ' ' TYR . 2.4 mp0 -56.51 -36.34 69.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 8.9 mpt_? -73.94 -41.18 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.068 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.416 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 18.7 mm-40 -57.03 -23.82 49.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.24 -62.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.554 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 51' ' ' ARG . 50.3 pttt -62.0 -46.2 90.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.689 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.9 mt -55.89 -35.03 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.152 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -60.79 -53.53 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.542 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.92 -32.31 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.477 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 62' ' ' MET . 68.8 mt-30 -58.04 -50.93 71.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.061 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -54.14 -43.64 70.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.05 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 71.4 mtt180 -63.11 -23.14 67.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.187 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -84.41 -42.79 15.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.864 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 17.4 ptm -83.79 -12.31 55.85 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HZ2' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.771 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.0 p90 . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.611 HG22 ' H ' ' A' ' 20' ' ' GLN . 10.2 t -100.58 167.37 10.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 3.8 mptp? -66.42 -28.66 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.759 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -67.97 -44.9 75.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.611 ' H ' HG22 ' A' ' 17' ' ' THR . 67.4 mt-30 -55.8 -55.5 31.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.174 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -68.31 -22.22 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -49.48 77.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.453 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.606 ' HB2' HD23 ' A' ' 46' ' ' LEU . 13.9 mm-40 -70.47 -40.02 73.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.838 0.351 . . . . 0.0 111.496 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.82 -32.46 73.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.914 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.41 -39.33 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.625 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -57.17 -37.11 71.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.499 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -83.32 -34.99 25.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.744 0.306 . . . . 0.0 111.361 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -52.53 -22.8 5.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.543 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 mt -75.73 -62.68 1.5 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.135 0.493 . . . . 0.0 111.938 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -105.47 -56.17 2.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.806 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -77.98 64.78 3.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.665 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.4 mtt -61.76 -28.62 69.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -129.85 113.15 14.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.285 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.9 mt -89.11 175.99 7.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.174 0.511 . . . . 0.0 111.809 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.4 t -120.08 -176.55 3.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.534 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -58.95 -38.35 78.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 110.578 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.54 -57.18 8.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -56.92 -49.05 76.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -52.09 -31.93 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.41 -58.62 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.445 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -57.56 -45.81 84.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.581 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.0 m -66.09 -23.54 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.72 0.295 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.38 -25.0 34.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -77.5 -32.82 54.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -87.77 -25.89 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.305 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.606 HD23 ' HB2' ' A' ' 23' ' ' GLU . 46.6 mt -95.55 -5.28 43.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.39 33.62 22.46 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.802 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.2 mt -115.47 179.11 4.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.454 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 44.6 m -91.85 145.61 24.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.36 -55.47 21.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -62.14 -34.6 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB2' ' HB ' ' A' ' 49' ' ' THR . 53.1 tt0 -58.0 -31.78 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.2 t -59.9 -60.49 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.334 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -62.73 -38.16 89.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.306 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.3 mt -67.63 -27.94 40.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -66.95 -51.41 55.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.76 -39.4 87.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.1 -54.08 50.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.69 -47.21 73.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -57.07 -25.49 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -82.97 -35.32 26.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.1 mtp -57.47 -49.88 74.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 pttt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 120.852 0.358 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.68 HG23 ' H ' ' A' ' 20' ' ' GLN . 7.1 t -100.6 167.36 10.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.757 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -70.04 -31.54 69.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 -179.71 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -69.34 -49.64 53.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.382 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.68 ' H ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -54.74 -56.27 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.237 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -63.4 -24.46 67.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.692 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -41.96 99.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.461 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.579 ' HB2' HD23 ' A' ' 46' ' ' LEU . 18.6 mm-40 -83.27 -46.82 12.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.567 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.27 -34.26 70.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.845 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.72 -32.92 73.06 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.157 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.29 -45.71 92.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -83.94 -27.27 28.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.353 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -53.67 -22.01 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -62.48 -59.13 5.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.47 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -104.81 -53.76 2.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.883 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 p30 37.58 27.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.778 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.7 mmm -81.11 -22.71 38.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.789 0.328 . . . . 0.0 110.581 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.7 t80 175.61 140.21 0.06 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.379 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.1 mt -132.39 174.53 10.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 111.16 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 t -117.23 163.65 15.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.942 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -57.46 -27.09 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.93 -45.64 88.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -77.68 -51.43 10.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.417 ' NH2' ' HD3' ' A' ' 51' ' ' ARG . 60.9 mtp180 -51.88 -29.84 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.3 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.424 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 39.9 t80 -77.12 -56.86 4.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.64 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.53 -42.55 83.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.592 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 m -70.55 -25.16 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.25 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -80.16 -27.85 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -75.63 -30.65 59.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.164 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 m -88.19 -30.42 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.452 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.579 HD23 ' HB2' ' A' ' 23' ' ' GLU . 95.3 mt -91.68 2.58 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.011 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 59.17 30.79 20.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.221 0.534 . . . . 0.0 110.711 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 27.8 mt -113.51 179.59 3.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.745 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -106.42 149.28 27.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 40' ' ' TYR . 37.9 mt-10 -50.81 -32.22 19.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.869 0.366 . . . . 0.0 111.342 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HD3' ' NH2' ' A' ' 39' ' ' ARG . 31.1 mmt180 -84.99 -51.98 6.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.235 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -47.46 -45.91 26.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.343 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.1 -42.49 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.551 ' HZ1' ' NE2' ' A' ' 58' ' ' GLN . 21.3 ttpp -66.96 -52.72 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.616 0.246 . . . . 0.0 110.879 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.431 ' HA ' HE21 ' A' ' 58' ' ' GLN . 81.1 mt -59.83 -28.16 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.083 0.468 . . . . 0.0 110.513 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -58.17 -53.96 52.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -68.34 -39.37 81.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.551 ' NE2' ' HZ1' ' A' ' 54' ' ' LYS . 45.7 mt-30 -52.27 -53.74 40.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -55.69 -46.38 77.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -54.45 -24.17 19.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.314 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.441 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 2.0 mmp_? -82.66 -45.73 14.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.537 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 36.4 mtp -50.6 -52.3 40.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.016 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.623 ' HZ2' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.192 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.4 p90 . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 121.053 0.454 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.428 HG21 ' H ' ' A' ' 20' ' ' GLN . 10.3 t -100.14 174.82 5.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.72 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -63.07 -29.63 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -70.96 -50.14 37.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.573 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.428 ' H ' HG21 ' A' ' 17' ' ' THR . 15.9 mm100 -57.65 -51.62 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.309 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -66.14 -24.71 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.676 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -51.36 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.143 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.558 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.5 mm-40 -67.04 -43.16 83.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.507 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.57 -40.32 96.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.793 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.38 -27.37 60.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.673 0.273 . . . . 0.0 110.692 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.444 ' HE3' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -59.32 -40.26 85.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.833 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.54 -20.02 32.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.521 ' HA ' HD22 ' A' ' 31' ' ' ASN . 58.3 t80 -64.92 -23.14 67.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.972 0.415 . . . . 0.0 110.817 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.64 -60.98 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.593 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -54.23 11.92 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.755 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.521 HD22 ' HA ' ' A' ' 28' ' ' PHE . 9.5 m120 61.49 15.18 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.11 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 mmm -78.13 7.75 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.1 t80 70.48 105.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.59 -178.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.618 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 t -119.96 178.87 4.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.13 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -56.16 -39.07 71.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.947 0.403 . . . . 0.0 110.597 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.61 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.589 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 24.4 mmt180 -60.97 -47.86 84.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.673 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -51.49 -30.49 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -77.34 -55.33 5.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.106 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 12.0 pt-20 -61.92 -44.88 95.86 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -67.73 -28.6 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.592 0.234 . . . . 0.0 111.524 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 48' ' ' LEU . . . -78.75 -27.35 44.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -72.19 -31.44 65.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.9 m -88.15 -26.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.034 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' A' ' 23' ' ' GLU . 91.4 mt -92.86 -8.57 43.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.037 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.7 t30 61.18 34.22 18.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.704 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 21.6 mt -119.81 179.2 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.714 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.465 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 22.3 m -90.56 149.06 22.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.714 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -55.14 -35.02 64.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.218 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.58 -33.64 58.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.363 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.465 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 28.8 mm-40 -62.4 -28.84 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.437 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.0 t -72.71 -53.41 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.462 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -62.93 -43.46 98.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.461 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.98 -27.94 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.147 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -65.14 -56.7 11.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.99 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -63.08 -35.13 79.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.165 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 62' ' ' MET . 34.8 tt0 -59.68 -55.57 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.812 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -51.36 -45.47 62.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.252 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -60.0 -25.57 65.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -83.89 -60.39 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.445 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 8.2 ptp -59.5 -29.63 67.99 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.367 . . . . 0.0 110.52 -179.724 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.576 HG23 ' H ' ' A' ' 20' ' ' GLN . 8.9 t -86.89 166.32 15.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.38 -34.0 68.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.458 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -69.3 -50.87 42.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.289 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.576 ' H ' HG23 ' A' ' 17' ' ' THR . 25.8 mt-30 -55.32 -45.41 76.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.321 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -74.28 -23.44 59.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.347 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -37.82 83.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.591 ' HB2' HD22 ' A' ' 46' ' ' LEU . 17.9 mm-40 -81.71 -46.35 14.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.981 0.419 . . . . 0.0 111.157 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.46 -30.94 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.81 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.92 -30.17 62.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.629 0.252 . . . . 0.0 110.891 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -61.07 -44.53 97.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.641 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -83.74 -31.2 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -50.2 -22.23 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.97 -62.11 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 0.0 111.266 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -106.35 -53.41 2.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.244 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 p30 37.5 29.12 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.482 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 90.8 mmm -77.03 -26.49 53.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -171.81 143.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.564 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.0 mt -134.42 173.52 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.262 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.6 t -120.34 171.25 8.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.128 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -63.05 -36.98 85.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.501 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -59.47 -36.84 76.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -68.97 -52.93 23.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.189 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -51.98 -33.59 38.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -74.38 -58.92 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.06 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -54.51 -43.39 71.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.678 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -71.49 -22.59 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.727 0.298 . . . . 0.0 111.112 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 48' ' ' LEU . . . -82.04 -26.85 33.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.906 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -80.01 -30.17 39.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.107 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 m -88.04 -33.3 6.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.279 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.591 HD22 ' HB2' ' A' ' 23' ' ' GLU . 95.2 mt -89.0 1.96 54.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.3 t30 59.44 31.96 21.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.049 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 21.2 mt -116.78 179.6 3.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.525 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 10.4 m -101.04 157.36 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.555 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.03 -33.65 57.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -83.33 -28.61 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.525 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 16.0 mm100 -66.83 -37.45 84.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.7 -39.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.03 -48.63 73.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.6 -27.33 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.703 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -60.77 -57.29 13.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -65.42 -33.81 76.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.601 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -59.35 -46.78 87.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.73 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -58.67 -45.52 89.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.773 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -60.63 -21.93 63.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.649 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -81.81 -40.82 21.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.7 mtt -54.87 -44.4 74.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.3 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.802 0.334 . . . . 0.0 110.819 -179.76 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.2 p90 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.107 0.48 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 20' ' ' GLN . 8.9 t -99.8 172.52 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.597 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -61.97 -32.22 72.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.652 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -72.05 -52.71 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.496 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.51 ' H ' HG22 ' A' ' 17' ' ' THR . 26.3 mt-30 -55.88 -40.65 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.363 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.2 t -78.18 -23.79 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.31 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -58.86 -43.52 90.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.89 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.52 ' HB2' HD21 ' A' ' 46' ' ' LEU . 24.0 mm-40 -79.49 -42.79 24.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.37 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.61 -28.73 70.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.649 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 12.0 pt-20 -80.8 -42.53 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.39 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 22' ' ' LEU . 28.7 mtpp -50.93 -38.44 50.24 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.641 0.257 . . . . 0.0 111.213 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.55 -36.5 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.585 ' HA ' HD22 ' A' ' 31' ' ' ASN . 80.1 t80 -51.94 -22.01 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.789 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 25' ' ' GLU . 18.6 mt -61.57 -61.81 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.09 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.504 ' HB3' ' HG3' ' A' ' 32' ' ' MET . 0.1 OUTLIER -105.69 -47.58 3.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.585 HD22 ' HA ' ' A' ' 28' ' ' PHE . 11.7 m120 53.5 34.27 17.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.071 -177.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.504 ' HG3' ' HB3' ' A' ' 30' ' ' PHE . 74.3 mtp -42.31 -37.19 1.45 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.759 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 t80 178.08 143.51 0.11 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.741 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.24 115.03 28.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 t -117.72 163.84 15.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.247 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.27 -40.68 82.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.625 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -63.47 -26.6 68.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.975 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -82.45 -52.14 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -58.25 -28.3 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.898 0.38 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -74.79 -56.93 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.467 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.84 -41.46 77.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.449 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 m -72.19 -22.54 21.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.079 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.15 -28.05 32.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.496 ' HA ' ' NE ' ' A' ' 44' ' ' ARG . 4.8 mmp_? -74.66 -31.82 62.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.97 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.3 m -88.11 -29.55 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.091 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 23' ' ' GLU . 82.7 mt -93.67 -3.09 53.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.27 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 57.73 34.28 24.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.803 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 28.5 mt -114.43 179.32 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.454 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 12.3 m -92.04 153.84 19.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -61.95 -33.74 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.472 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 1.5 mmp_? -82.53 -25.97 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.53 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 76.1 mt-30 -69.5 -41.67 75.78 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 m -63.71 -42.86 97.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 19.7 ptmt -69.57 -51.63 33.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.161 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.408 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 96.1 mt -59.35 -26.89 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 110.639 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.27 -51.44 66.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.641 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -65.05 -39.63 93.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.793 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -54.56 -61.09 2.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.93 -44.33 97.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.797 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -57.57 -21.98 42.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.743 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -83.32 -40.87 18.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.8 mtm -56.0 -46.3 78.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.731 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.2 pttt . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 0.0 110.793 -179.807 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 p90 . . . . . 0 N--CA 1.447 -0.607 0 CA-C-O 120.794 0.33 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 20' ' ' GLN . 6.3 t -100.02 161.74 13.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 4.1 mptp? -62.32 -26.09 68.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.582 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.99 -56.58 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.422 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.681 ' H ' HG23 ' A' ' 17' ' ' THR . 13.9 mm100 -49.84 -48.93 50.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.954 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -72.6 -24.24 61.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -42.66 70.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.647 0.261 . . . . 0.0 111.631 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.571 ' HB2' HD23 ' A' ' 46' ' ' LEU . 9.3 mm-40 -81.77 -41.39 21.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.15 -31.76 72.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.91 -26.29 63.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.045 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -70.69 -42.73 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.239 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.04 -26.85 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.202 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -53.42 -22.03 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.43 -59.59 5.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.4 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.417 ' O ' ' HG2' ' A' ' 32' ' ' MET . 3.5 t80 -105.26 -52.98 2.74 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.164 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.7 p30 37.65 27.41 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.656 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 20.1 mmt -88.92 -15.35 34.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -177.26 144.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.437 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD11 ' HG2' ' A' ' 38' ' ' ARG . 10.1 tp -143.8 159.0 43.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.993 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 t -104.59 158.22 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.24 -37.35 77.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.01 -35.68 71.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.216 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' HG2' HD11 ' A' ' 34' ' ' LEU . 19.3 tpt180 -78.9 -44.34 22.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.801 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' CZ ' ' HD3' ' A' ' 54' ' ' LYS . 75.6 mtt180 -56.93 -28.76 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.535 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.06 -57.38 4.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.216 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.52 -44.13 89.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.634 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.0 m -67.57 -23.72 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 111.217 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -82.26 -26.34 33.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -76.16 -31.2 58.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.073 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 m -87.88 -33.91 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.434 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.571 HD23 ' HB2' ' A' ' 23' ' ' GLU . 77.0 mt -87.63 -1.27 57.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.988 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 m120 59.17 32.43 22.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 19.5 mt -115.62 179.51 3.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.569 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.508 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 17.6 m -101.24 150.27 23.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.537 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.43 -47.56 63.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.554 ' HD2' ' HZ2' ' A' ' 54' ' ' LYS . 15.0 mmm180 -64.51 -40.28 95.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.201 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.508 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 83.0 mm-40 -54.63 -35.7 63.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.335 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.41 -55.67 22.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.338 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.554 ' HZ2' ' HD2' ' A' ' 51' ' ' ARG . 36.2 mtmm -62.09 -53.72 51.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.339 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.7 mt -55.14 -34.31 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.516 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -56.63 -57.67 11.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 110.639 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -68.22 -27.21 66.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.001 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -57.28 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.74 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.485 ' HA ' ' HG3' ' A' ' 62' ' ' MET . 48.8 m-80 -56.68 -43.39 80.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -53.31 -31.17 42.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.245 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -83.15 -33.15 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.497 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.485 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 37.4 mtp -55.4 -45.58 76.66 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttm . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.762 0.315 . . . . 0.0 110.776 -179.509 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.994 0.426 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.615 HG21 ' H ' ' A' ' 20' ' ' GLN . 13.9 t -101.44 -176.79 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -81.98 -30.68 31.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -70.95 -43.74 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.615 ' H ' HG21 ' A' ' 17' ' ' THR . 12.4 mm100 -59.33 -57.15 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -62.09 -23.75 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.469 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -61.81 -44.08 97.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.649 ' HB2' HD23 ' A' ' 46' ' ' LEU . 16.9 mm-40 -77.58 -40.67 41.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.918 0.39 . . . . 0.0 111.371 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.38 -32.75 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.461 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.95 -29.36 43.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.991 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 29.9 mmmt -57.13 -42.89 81.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.756 0.313 . . . . 0.0 110.5 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -82.77 -32.86 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.511 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -51.38 -22.05 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.123 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.88 -59.27 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.151 0.5 . . . . 0.0 111.638 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -103.94 -54.46 2.55 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.445 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 p30 36.08 32.89 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.189 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.4 mmt -82.48 -21.27 35.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 111.081 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -171.06 117.89 0.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.667 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.446 HD22 ' HE ' ' A' ' 39' ' ' ARG . 13.6 tp -104.06 145.93 29.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t -120.15 160.45 22.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.182 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -58.16 -36.89 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -61.6 -32.61 72.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -80.96 -45.73 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.804 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' HE ' HD22 ' A' ' 34' ' ' LEU . 81.2 mtt180 -56.77 -29.6 62.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.667 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -72.95 -59.01 2.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.746 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -56.25 -43.66 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.498 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 m -70.39 -21.4 23.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.739 0.304 . . . . 0.0 111.208 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.03 -29.05 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.753 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -74.35 -30.52 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.943 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.6 m -88.07 -31.23 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.591 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.649 HD23 ' HB2' ' A' ' 23' ' ' GLU . 86.3 mt -90.32 0.37 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.259 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 59.87 29.99 19.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.068 0.461 . . . . 0.0 110.658 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.7 mt -114.66 179.54 3.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.711 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 53' ' ' VAL . 28.2 m -104.2 148.55 26.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.62 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -48.42 -35.85 13.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.051 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -77.28 -51.28 11.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -50.19 -29.27 8.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.71 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 49' ' ' THR . 98.3 t -71.28 -61.6 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.391 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.585 ' HZ1' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -59.28 -50.65 73.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.273 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.7 mt -51.6 -38.91 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.064 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -59.35 -47.87 83.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -66.88 -30.99 71.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 62' ' ' MET . 26.6 mt-30 -65.25 -62.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.646 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -55.47 -52.65 62.93 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -54.99 -25.88 32.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 111.224 -179.473 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -81.51 -37.36 27.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.343 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 30.3 mtt -56.18 -43.15 78.14 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 22.7 pttm . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 120.716 0.293 . . . . 0.0 110.954 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.4 p90 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.422 HG21 ' HG3' ' A' ' 20' ' ' GLN . 11.8 t -97.79 169.98 9.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -59.99 -23.71 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -74.24 -52.27 12.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.422 ' HG3' HG21 ' A' ' 17' ' ' THR . 54.5 mt-30 -53.12 -48.98 67.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -68.92 -26.42 65.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.303 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -39.98 94.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 111.087 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.498 ' HB2' HD23 ' A' ' 46' ' ' LEU . 29.8 mm-40 -77.16 -47.97 18.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.672 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.76 -31.88 72.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.736 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.74 -37.25 62.56 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.115 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -55.29 -41.63 72.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.192 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -84.63 -30.74 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.774 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.416 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 72.1 t80 -55.87 -21.01 17.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.153 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.99 -56.8 11.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.319 0.581 . . . . 0.0 111.405 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' C ' ' H ' ' A' ' 32' ' ' MET . 10.9 t80 -83.38 -60.88 2.0 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.106 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 28' ' ' PHE . 9.5 m120 50.22 4.56 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.686 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.532 ' H ' ' C ' ' A' ' 30' ' ' PHE . 63.3 mmm -89.18 -7.16 56.19 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.057 0.455 . . . . 0.0 110.323 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -176.44 148.95 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.224 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.1 tp -138.94 147.66 42.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.012 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 t -117.94 159.74 22.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 111.62 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -61.86 -38.02 86.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.312 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.26 -23.81 66.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -83.45 -56.26 3.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.756 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -52.72 -31.24 36.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -73.01 -57.15 4.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.77 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.93 -42.03 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.655 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -71.23 -21.81 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.338 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.13 -24.84 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.981 0.419 . . . . 0.0 111.103 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -82.07 -30.84 31.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 m -87.96 -30.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.365 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.498 HD23 ' HB2' ' A' ' 23' ' ' GLU . 97.3 mt -93.43 0.31 56.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.98 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.4 m120 58.36 34.94 24.46 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.959 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.451 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 24.0 mt -117.35 179.88 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.508 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 27.2 m -100.71 153.44 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.592 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -52.68 -34.48 52.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -80.12 -40.52 27.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.508 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 50.2 mt-30 -50.72 -38.05 45.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.257 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.4 t -53.04 -60.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.251 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -63.05 -38.45 91.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.71 -29.89 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.292 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -65.83 -57.3 8.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -59.63 -35.69 74.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.798 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.54 -48.2 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.494 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.498 ' HA ' ' HG3' ' A' ' 62' ' ' MET . 88.8 m-20 -59.36 -42.95 92.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.0 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -57.0 -26.05 59.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.776 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -83.49 -35.11 25.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.437 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.498 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 33.6 mtt -54.26 -47.3 72.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.038 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 N--CA 1.446 -0.635 0 CA-C-O 120.758 0.314 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.587 HG21 ' H ' ' A' ' 20' ' ' GLN . 14.0 t -87.87 -173.6 4.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.448 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -79.61 -34.1 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.7 -43.42 59.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.681 0.276 . . . . 0.0 111.503 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.587 ' H ' HG21 ' A' ' 17' ' ' THR . 49.5 mt-30 -54.91 -56.11 23.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 t -66.32 -22.16 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.468 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -42.9 99.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.413 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -78.66 -42.58 28.25 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 111.258 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.87 -43.57 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.457 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.68 -32.38 74.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.391 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -56.83 -52.36 65.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.62 -22.65 37.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.413 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 83.7 t80 -54.92 -21.3 11.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.382 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.73 -56.69 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 111.358 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.483 ' C ' ' H ' ' A' ' 32' ' ' MET . 14.9 t80 -81.23 -61.38 1.96 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.258 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.545 ' HB3' HH21 ' A' ' 61' ' ' ARG . 10.3 m120 48.11 9.4 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.644 -178.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.483 ' H ' ' C ' ' A' ' 30' ' ' PHE . 56.4 mmm -87.74 -5.86 58.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.973 0.416 . . . . 0.0 110.385 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.2 t80 178.82 153.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.098 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 tp -143.63 148.83 36.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.424 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 t -113.96 157.67 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.328 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.413 ' HG3' HH21 ' A' ' 39' ' ' ARG . 56.2 ttp180 -62.45 -37.97 87.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.512 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.76 -24.63 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -81.3 -55.65 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.413 HH21 ' HG3' ' A' ' 36' ' ' ARG . 33.1 mtm180 -50.8 -32.47 20.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -71.69 -59.15 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.924 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.31 -42.57 86.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.821 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 12.8 m -69.77 -22.07 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.5 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.96 -27.28 36.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.965 0.412 . . . . 0.0 110.743 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -75.72 -31.97 59.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.041 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.2 m -88.17 -31.68 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.473 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.54 ' HB3' ' HG ' ' A' ' 48' ' ' LEU . 1.8 tp -94.38 3.13 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.323 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.543 ' N ' HD21 ' A' ' 47' ' ' ASN . 0.8 OUTLIER 55.95 36.39 27.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.377 179.268 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.54 ' HG ' ' HB3' ' A' ' 46' ' ' LEU . 30.0 mt -114.3 179.41 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.864 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.505 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 16.9 m -97.28 151.93 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.739 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -53.27 -39.3 63.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.342 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -73.29 -42.14 62.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.394 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.505 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 27.6 mt-30 -55.44 -23.64 26.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.674 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.404 HG13 ' HA ' ' A' ' 39' ' ' ARG . 44.5 t -71.17 -62.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.743 0.306 . . . . 0.0 111.45 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -61.26 -43.03 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.729 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.81 -39.31 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.394 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.409 ' HE1' ' NH2' ' A' ' 60' ' ' ARG . 66.6 t-105 -56.39 -57.4 12.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.135 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -61.83 -30.83 71.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -57.42 -49.91 74.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.402 ' HA ' ' HG3' ' A' ' 62' ' ' MET . 50.3 m-80 -57.55 -44.72 85.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.409 ' NH2' ' HE1' ' A' ' 56' ' ' TRP . 70.1 mtt180 -55.92 -26.54 48.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.545 HH21 ' HB3' ' A' ' 31' ' ' ASN . 38.6 mmt180 -82.68 -31.94 28.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.997 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.402 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 28.7 mtp -65.43 -41.07 93.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.713 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 pttm . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 120.778 0.323 . . . . 0.0 110.952 -179.567 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.507 ' HA ' ' NE2' ' A' ' 20' ' ' GLN . 6.4 p90 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.893 0.378 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.732 HG22 ' H ' ' A' ' 20' ' ' GLN . 9.8 t -100.22 162.56 12.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -59.72 -33.02 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.815 -179.219 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -73.47 -51.45 17.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 0.0 111.755 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.732 ' H ' HG22 ' A' ' 17' ' ' THR . 6.1 pt20 -57.92 -36.61 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.555 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -80.22 -24.05 40.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -37.62 85.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.005 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.532 ' HB2' HD23 ' A' ' 46' ' ' LEU . 19.0 mm-40 -82.76 -46.59 12.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.339 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.95 -29.73 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.456 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.7 -33.45 60.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.639 0.257 . . . . 0.0 110.702 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -57.46 -40.6 78.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -86.6 -30.2 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.58 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -51.07 -22.34 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.326 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.95 -58.6 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 0.0 111.18 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -105.08 -55.9 2.25 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.195 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 p30 38.11 28.31 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.662 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.6 mmt -81.36 -20.93 39.53 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.78 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -168.33 149.56 4.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.403 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 tp -141.84 147.81 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -118.59 168.15 10.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -55.74 -30.51 61.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.323 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.49 -49.69 76.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.789 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.406 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 22.8 mmt180 -73.59 -50.4 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -47.89 -37.81 14.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.424 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -71.77 -59.04 2.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.113 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 10.9 pt-20 -55.73 -43.75 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.3 m -71.59 -20.94 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.373 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.03 -28.8 32.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.986 0.422 . . . . 0.0 111.038 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -80.03 -28.47 39.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 HG21 ' HG ' ' A' ' 46' ' ' LEU . 14.6 m -88.2 -32.18 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.241 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' A' ' 23' ' ' GLU . 94.5 mt -93.52 2.26 56.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.019 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 58.0 33.69 23.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.637 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.6 mt -114.35 179.11 4.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.833 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.425 ' O ' HG21 ' A' ' 53' ' ' VAL . 23.5 m -93.68 149.43 21.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -54.87 -35.29 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.314 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -81.11 -40.47 24.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.321 -179.646 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -57.04 -21.52 31.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.448 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 49' ' ' THR . 92.1 t -72.21 -59.81 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.693 0.283 . . . . 0.0 111.209 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -61.33 -37.3 82.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.058 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.418 HG21 ' ND2' ' A' ' 59' ' ' ASN . 80.8 mt -68.35 -29.25 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.961 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -62.96 -46.57 87.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -71.12 -40.38 71.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -57.85 -54.5 46.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.121 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.491 ' HA ' ' HE2' ' A' ' 62' ' ' MET . 95.1 m-20 -53.66 -46.9 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -56.44 -26.35 53.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.272 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -84.04 -45.22 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.658 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.491 ' HE2' ' HA ' ' A' ' 59' ' ' ASN . 40.2 mtm -51.53 -42.36 61.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.074 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.631 0.253 . . . . 0.0 111.09 -179.605 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.6 p90 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-O 120.728 0.299 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.4 p -79.82 164.89 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.882 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.11 -17.89 64.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.545 178.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.21 -39.99 20.23 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -64.79 -37.42 87.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.274 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -82.31 -23.72 35.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.403 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -65.51 -42.22 92.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.233 -179.827 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.567 ' HB2' HD23 ' A' ' 46' ' ' LEU . 23.8 mm-40 -83.32 -46.12 12.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.694 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.35 -28.26 69.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 10.8 pt-20 -72.33 -34.71 68.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.772 0.32 . . . . 0.0 111.136 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.52 -39.55 94.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -86.17 -28.3 24.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -52.03 -22.35 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.71 -61.92 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.295 0.569 . . . . 0.0 110.847 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -105.64 -54.62 2.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.369 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 p30 40.33 22.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.594 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 85.2 mmm -89.86 -13.83 35.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 110.828 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -173.42 148.91 1.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.566 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.4 mt -141.29 172.77 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.105 0.478 . . . . 0.0 111.554 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 t -120.87 160.87 22.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -54.88 -36.74 65.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.06 -51.6 68.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.29 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -63.03 -54.69 34.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -48.17 -35.67 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.384 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -73.93 -58.97 2.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.63 -42.35 74.83 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 m -73.21 -22.31 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.536 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.63 32.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.902 0.382 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -79.33 -28.26 42.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.4 m -87.93 -34.17 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.362 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.567 HD23 ' HB2' ' A' ' 23' ' ' GLU . 94.8 mt -90.66 1.75 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 60.02 31.37 20.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.7 mt -111.14 179.0 4.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.785 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.535 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 19.7 m -102.05 146.88 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.755 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -50.65 -34.74 27.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.282 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.53 -35.31 30.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.33 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.535 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 26.2 mm-40 -61.98 -22.01 65.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.743 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.54 -50.26 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 111.549 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -67.73 -30.56 70.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.607 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.7 mt -79.33 -32.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.631 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -61.63 -57.32 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.951 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -65.59 -35.82 81.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -57.73 -49.35 76.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.73 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -53.97 -46.58 71.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -57.57 -27.22 62.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -82.92 -41.6 18.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.495 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.9 mtm -54.08 -46.0 71.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.623 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.735 0.302 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.2 p90 . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.955 0.407 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 20' ' ' GLN . 6.2 t -98.78 168.87 9.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 3.8 mptp? -62.13 -27.18 68.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.493 ' HH ' ' HB ' ' A' ' 45' ' ' VAL . 5.2 t80 -71.66 -47.69 52.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.243 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.553 ' H ' HG23 ' A' ' 17' ' ' THR . 19.4 mm-40 -54.04 -56.95 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -64.83 -23.54 67.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.811 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -41.78 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.402 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' HB2' HD22 ' A' ' 46' ' ' LEU . 14.7 mm-40 -82.78 -42.48 17.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.501 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.24 -34.45 76.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.737 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.17 -32.77 70.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.662 0.268 . . . . 0.0 111.231 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -61.48 -42.36 98.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -86.62 -26.64 24.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.995 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -53.42 -21.74 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.134 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.2 mt -62.32 -56.68 16.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.186 0.517 . . . . 0.0 111.283 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 32' ' ' MET . 19.6 t80 -105.2 -55.84 2.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.984 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 p30 34.71 28.17 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.821 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.434 ' HA ' ' HE2' ' A' ' 32' ' ' MET . 0.4 OUTLIER -98.84 -9.11 24.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.439 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.5 t80 175.87 128.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.398 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.7 mt -128.11 176.06 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.958 0.409 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.7 t -120.0 168.83 10.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.656 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -60.05 -35.94 76.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.723 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.05 -39.22 91.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.361 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -76.15 -56.91 4.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.257 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HD3' ' HD3' ' A' ' 54' ' ' LYS . 94.6 mtt180 -52.04 -30.35 25.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.45 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -76.53 -58.77 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.913 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.04 -40.41 67.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.657 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 m -73.59 -26.81 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.223 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 48' ' ' LEU . . . -82.3 -26.2 33.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -76.55 -30.48 57.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.032 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.493 ' HB ' ' HH ' ' A' ' 19' ' ' TYR . 12.5 m -87.96 -32.5 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.301 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.486 HD22 ' HB2' ' A' ' 23' ' ' GLU . 95.9 mt -90.06 -0.63 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.761 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 58.8 32.19 21.97 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 26.5 mt -113.01 179.66 3.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.707 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 m -91.54 155.59 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.714 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.36 -37.28 82.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.528 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 62.4 mtt180 -85.76 -33.52 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.929 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -65.19 -30.79 71.72 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.87 -43.51 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' A' ' 51' ' ' ARG . 46.7 pttt -70.24 -47.5 61.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.574 0.226 . . . . 0.0 111.46 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.82 -29.56 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.148 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -63.63 -52.3 61.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.029 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -63.13 -41.41 99.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.277 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -53.2 -61.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.79 -46.33 87.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.534 ' HD3' ' HD3' ' A' ' 63' ' ' LYS . 23.3 tpp180 -55.96 -25.34 43.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.3 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -81.79 -47.7 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.372 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.5 mtp -51.06 -47.19 61.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.612 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.534 ' HD3' ' HD3' ' A' ' 60' ' ' ARG . 22.2 ptmt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.033 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.0 p90 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 121.228 0.537 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.534 HG21 HE21 ' A' ' 20' ' ' GLN . 15.1 t -100.11 178.8 4.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.71 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -71.25 -33.75 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -66.75 -50.3 63.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.288 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.534 HE21 HG21 ' A' ' 17' ' ' THR . 46.5 mt-30 -59.77 -51.52 69.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.596 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -63.24 -24.0 67.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.38 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -65.14 -49.69 68.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.041 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HB2' HD21 ' A' ' 46' ' ' LEU . 16.8 mm-40 -64.84 -43.51 92.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.304 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.31 -38.81 85.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.91 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 10.5 pt-20 -71.13 -30.55 66.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.646 0.26 . . . . 0.0 110.994 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -59.87 -46.92 87.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -83.82 -28.87 27.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -48.52 -21.96 0.66 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.599 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.9 mt -64.56 -59.7 4.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.265 0.555 . . . . 0.0 110.95 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' MET . 23.5 t80 -105.19 -58.08 1.94 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.908 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 p30 35.72 25.7 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.777 -178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' PHE . 35.5 mtm -105.55 -3.22 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.013 0.435 . . . . 0.0 110.997 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -173.59 118.59 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.075 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.452 HD12 ' NE ' ' A' ' 39' ' ' ARG . 3.0 pp -143.82 -178.99 6.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.328 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 t -115.29 163.16 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.139 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -59.66 -35.12 73.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -60.8 -31.97 71.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -67.93 -56.33 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' NE ' HD12 ' A' ' 34' ' ' LEU . 93.2 mtt180 -52.91 -29.69 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.384 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -76.65 -59.03 2.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.621 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -54.75 -42.2 71.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.476 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.5 m -71.21 -26.71 27.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.107 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 48' ' ' LEU . . . -82.32 -25.71 33.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.01 0.433 . . . . 0.0 110.985 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.91 -32.22 63.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -88.38 -26.47 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.23 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 23' ' ' GLU . 88.5 mt -92.74 -2.08 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m120 59.66 32.83 21.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.165 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 22.1 mt -117.91 179.57 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 53' ' ' VAL . 27.3 m -101.79 147.07 26.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.701 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -50.29 -40.58 48.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.879 0.371 . . . . 0.0 111.007 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -65.36 -53.1 48.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -55.83 -25.93 44.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.538 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' THR . 70.3 t -72.88 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.707 0.289 . . . . 0.0 111.517 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.07 -45.25 91.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.775 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.2 mt -61.21 -33.18 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.535 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -61.34 -55.83 27.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.116 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -62.31 -43.98 97.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.438 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -53.65 -54.34 39.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.538 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -54.13 -45.49 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.253 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -59.18 -23.56 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.224 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -83.16 -45.77 13.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.315 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.3 mtp -51.33 -47.88 62.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.657 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.2 pttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.412 ' HB2' ' HB2' ' A' ' 20' ' ' GLN . 3.3 p90 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.978 0.418 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.507 HG23 HE21 ' A' ' 20' ' ' GLN . 9.5 t -90.99 169.64 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -57.2 -30.57 64.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -67.91 -49.58 61.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.172 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.507 HE21 HG23 ' A' ' 17' ' ' THR . 49.1 mt-30 -59.38 -53.19 60.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.458 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -63.07 -23.76 67.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.447 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -61.9 -47.94 82.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.602 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.6 mm-40 -73.18 -39.14 65.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.13 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.43 -35.25 80.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.42 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 11.9 pt-20 -78.04 -28.09 48.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.865 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -59.67 -43.05 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.839 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -84.62 -34.69 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.565 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -48.64 -22.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.251 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.63 -61.37 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.209 0.528 . . . . 0.0 111.032 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -105.53 -55.15 2.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.269 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 p30 34.9 30.99 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.685 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 89.8 mmm -76.45 -28.18 56.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.788 0.328 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -177.56 144.19 0.38 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.87 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.3 mt -143.87 178.99 7.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.031 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -120.14 166.05 13.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -56.78 -36.9 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.09 0.472 . . . . 0.0 110.481 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.0 -34.21 67.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.819 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -77.39 -52.9 8.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.06 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -53.61 -30.1 41.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -74.29 -57.19 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.638 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.95 -46.02 85.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.583 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 m -65.31 -25.82 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 48' ' ' LEU . . . -80.99 -25.98 36.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -71.44 -34.96 70.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.793 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.4 m -88.02 -26.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.446 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.602 HD21 ' HB2' ' A' ' 23' ' ' GLU . 81.2 mt -95.17 -2.44 49.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.221 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 58.36 32.45 22.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 28.8 mt -111.55 179.73 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.739 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.6 m -99.28 151.28 21.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -55.08 -35.16 64.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -85.79 -34.74 21.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -57.63 -39.26 76.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.617 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 54' ' ' LYS . 30.6 m -68.11 -44.24 84.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.749 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' N ' HG22 ' A' ' 53' ' ' VAL . 54.5 mtmt -66.46 -49.43 66.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.742 0.306 . . . . 0.0 110.785 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 98.2 mt -56.7 -27.85 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.466 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -63.6 -52.67 59.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.564 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -62.37 -39.4 93.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -48.95 -57.07 7.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.361 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -57.53 -44.46 85.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.242 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -56.42 -23.16 36.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.233 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -83.53 -47.15 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.942 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.5 mtp -51.57 -49.22 62.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.34 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.966 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -139.71 -36.71 0.5 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.798 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -169.43 -22.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 pt -75.55 -32.15 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -136.33 -1.69 2.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.92 126.89 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -159.57 -62.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.772 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.8 t -82.19 118.42 23.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 t -130.2 6.28 4.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 10' ' ' ARG . 4.5 mmp_? -106.03 17.85 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -107.56 -77.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.574 ' HG3' ' HG2' ' A' ' 15' ' ' PRO . 39.2 ttpt 54.3 78.81 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -64.52 -75.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.254 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.598 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 77.5 m -149.07 54.3 1.62 Allowed Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.029 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.598 ' HD3' ' N ' ' A' ' 14' ' ' CYS . 5.1 Cg_exo -79.89 23.47 0.67 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.527 2.152 . . . . 0.0 112.416 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -92.29 172.07 8.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.537 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.72 HG23 ' H ' ' A' ' 20' ' ' GLN . 11.1 t -101.06 159.85 14.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -67.4 -33.14 74.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.496 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.4 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 6.5 t80 -65.98 -45.15 82.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.981 0.42 . . . . 0.0 111.331 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.72 ' H ' HG23 ' A' ' 17' ' ' THR . 25.6 mt-30 -58.38 -57.51 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.312 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -62.47 -23.19 66.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.487 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.404 HD11 ' HZ1' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -60.8 -53.77 53.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.191 -179.516 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.423 ' HG3' HD11 ' A' ' 46' ' ' LEU . 13.0 mm-40 -67.07 -32.23 73.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.28 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.36 -39.9 81.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.385 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.52 -27.98 37.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.675 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HZ1' HD11 ' A' ' 22' ' ' LEU . 28.8 mmtp -63.07 -40.09 96.66 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.71 -37.72 48.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.726 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -51.06 -23.23 2.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.476 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.49 -62.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.117 0.484 . . . . 0.0 112.098 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -105.01 -53.5 2.65 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.492 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -78.62 65.55 3.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.263 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 71.3 mtp -56.2 -33.16 65.05 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.333 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -101.72 163.41 12.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.307 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -111.7 122.04 46.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 111.373 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -115.23 164.94 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -54.1 -35.09 61.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 111.078 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.02 -60.03 4.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -62.79 -58.88 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.442 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' CZ ' ' HD3' ' A' ' 54' ' ' LYS . 59.3 mtp180 -41.47 -38.99 1.4 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.806 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -71.11 -59.31 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.93 -47.78 83.84 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 10.1 m -62.63 -23.68 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 111.275 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 48' ' ' LEU . . . -79.85 -24.69 41.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -79.78 -30.64 40.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.144 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.3 m -88.55 -29.73 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.27 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.534 ' HB3' ' HG ' ' A' ' 48' ' ' LEU . 2.0 tp -95.47 0.1 52.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.8 m120 57.47 36.65 27.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.634 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.534 ' HG ' ' HB3' ' A' ' 46' ' ' LEU . 30.0 mt -114.37 179.03 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.823 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.486 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 25.8 m -93.81 149.48 21.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.647 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -50.77 -39.1 51.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -85.81 -31.33 22.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.445 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.486 ' HB2' ' HB ' ' A' ' 49' ' ' THR . 8.8 tt0 -55.57 -45.22 77.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.921 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -72.07 -40.11 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 39' ' ' ARG . 37.4 ttpt -63.96 -49.69 71.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.912 0.387 . . . . 0.0 110.83 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.442 HG22 ' ND2' ' A' ' 59' ' ' ASN . 77.2 mt -61.61 -27.42 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.812 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -62.15 -47.94 82.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.683 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -70.06 -42.43 72.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.828 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 62' ' ' MET . 36.0 tt0 -54.81 -57.57 11.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.174 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.442 ' ND2' HG22 ' A' ' 55' ' ' ILE . 92.8 m-20 -51.87 -47.93 64.27 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.371 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -52.35 -28.85 21.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -83.76 -43.24 15.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.45 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 37.1 mtp -54.05 -46.68 72.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.544 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.472 ' HA ' ' HZ1' ' A' ' 66' ' ' LYS . 22.0 ptmt -58.86 -28.6 66.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.707 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.3 mtp -84.63 -20.69 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.697 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -75.05 -59.67 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HZ1' ' HA ' ' A' ' 63' ' ' LYS . 24.1 pttm -77.11 -5.66 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 81.3 mtp 57.95 -171.01 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.952 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.765 0.317 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.43 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . 1.7 m-20 59.23 17.41 5.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -94.73 -58.33 2.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.75 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.5 pt -133.63 -8.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.2 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -97.3 -0.4 46.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . . . -65.07 137.18 57.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 58.39 100.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.274 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -148.84 111.5 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.753 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 m -133.56 143.63 48.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.615 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 38.1 ttp180 60.89 179.0 0.1 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.615 ' H ' ' HG2' ' A' ' 10' ' ' ARG . 62.7 tttp -50.2 144.69 6.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.267 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -79.18 168.88 18.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -139.97 91.42 2.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.8 m 50.08 65.92 6.25 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.026 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -91.77 32.27 0.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.075 2.517 . . . . 0.0 112.72 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -56.95 152.63 12.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.277 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.641 HG23 ' H ' ' A' ' 20' ' ' GLN . 15.2 t -100.99 170.16 8.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.051 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -66.1 -32.81 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.674 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -48.25 38.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.781 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.641 ' H ' HG23 ' A' ' 17' ' ' THR . 17.4 pt20 -62.65 -38.72 91.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.32 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -77.27 -23.69 51.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.455 ' HG ' ' N ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -63.23 -54.52 36.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.504 -179.73 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.65 ' HB2' HD22 ' A' ' 46' ' ' LEU . 14.8 mm-40 -67.24 -40.55 86.32 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.05 -36.75 80.4 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -80.73 -42.44 21.88 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -58.38 -31.22 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -87.87 -34.25 18.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.639 0.257 . . . . 0.0 111.623 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -55.98 -23.08 30.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.331 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.33 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -105.96 -50.21 3.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.061 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -75.27 63.91 1.42 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.913 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.7 mtt -70.46 -21.21 62.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.097 0.475 . . . . 0.0 110.279 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -148.3 124.57 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.199 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 38' ' ' ARG . 96.1 mt -127.02 -179.67 4.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.078 0.466 . . . . 0.0 111.698 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -101.57 177.53 4.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.13 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -35.43 72.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -60.99 -53.24 59.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' HB3' HD11 ' A' ' 34' ' ' LEU . 6.0 mmt180 -62.89 -45.09 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.057 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -57.73 -25.68 60.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.432 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 83.9 t80 -76.02 -58.52 3.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.542 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.78 -41.09 70.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.323 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 m -71.86 -25.03 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.85 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -82.29 -25.52 33.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.632 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -74.28 -30.82 62.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.689 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 m -88.36 -27.58 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.65 HD22 ' HB2' ' A' ' 23' ' ' GLU . 64.2 mt -92.81 -4.73 52.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 58.89 31.94 21.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.639 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 28.6 mt -113.42 179.42 3.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.75 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.421 ' H ' HE21 ' A' ' 52' ' ' GLN . 20.6 m -95.2 144.96 25.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 40' ' ' TYR . 43.6 mt-10 -52.96 -41.29 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.032 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 8.8 mpt_? -76.52 -33.24 58.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.421 HE21 ' H ' ' A' ' 49' ' ' THR . 9.5 tt0 -64.88 -26.41 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.348 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.1 t -76.04 -51.8 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.706 0.288 . . . . 0.0 111.451 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HB2' ' NZ ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -63.4 -45.05 92.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.411 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.3 mt -63.07 -32.59 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.261 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -61.9 -52.46 64.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.034 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -67.46 -36.75 81.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -58.26 -44.82 88.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.665 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -58.44 -45.76 87.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.34 -21.68 64.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -82.8 -30.16 29.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.3 mtp -69.29 -41.67 76.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.488 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -59.83 -37.95 80.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.726 0.298 . . . . 0.0 110.807 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 97.0 mmm -77.79 -12.13 59.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.006 0.432 . . . . 0.0 110.439 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -106.04 -0.74 24.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -100.86 -29.27 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 64.0 mtt -97.59 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.079 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.59 -75.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -163.82 -32.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.7 pt -85.07 15.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.459 ' HB3' ' HG3' ' A' ' 7' ' ' ARG . 38.3 t60 61.53 20.93 11.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.114 0.483 . . . . 0.0 110.158 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.34 15.53 4.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.22 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.459 ' HG3' ' HB3' ' A' ' 5' ' ' HIS . 75.4 mtp180 -78.78 135.81 37.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.6 t -146.28 160.18 42.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.5 p -67.63 137.58 55.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -97.29 136.92 37.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -109.74 104.84 13.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.565 ' HE3' ' HB3' ' A' ' 15' ' ' PRO . 55.5 mtmt -141.58 -175.62 4.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -72.93 -53.47 11.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.798 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.0 p -139.65 71.51 37.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.565 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 87.6 Cg_endo -88.57 29.37 0.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.888 2.392 . . . . 0.0 112.739 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -60.77 158.71 12.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.33 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -99.82 -176.53 3.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.124 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -82.34 -20.52 37.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.482 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -82.94 -43.52 16.38 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.046 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.484 ' HA ' HD22 ' A' ' 46' ' ' LEU . 80.3 mt-30 -59.65 -40.13 86.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.962 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -80.34 -23.64 40.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.424 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -62.08 -42.32 99.09 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.858 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.525 ' HB2' HD23 ' A' ' 46' ' ' LEU . 18.1 mm-40 -78.5 -44.11 25.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.362 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.91 -34.22 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.425 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.8 -28.55 50.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.552 0.215 . . . . 0.0 111.221 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 8.2 mmmm -56.86 -45.23 82.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -86.13 -28.56 23.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.474 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 65.3 t80 -53.39 -21.12 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.996 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -62.13 -57.64 10.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.273 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.35 -55.61 2.3 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.619 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.474 ' OD1' ' HA ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER 45.14 17.14 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.288 -178.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.5 mmt -65.32 -9.78 27.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 0.0 110.653 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -179.59 147.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.107 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.44 HD23 ' HE ' ' A' ' 39' ' ' ARG . 10.8 tp -135.8 144.05 45.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 t -120.33 161.58 20.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.317 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.84 -39.17 80.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.303 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.44 -29.44 67.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.672 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -79.92 -51.36 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.395 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' HE ' HD23 ' A' ' 34' ' ' LEU . 86.0 mtt180 -54.43 -28.73 46.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.11 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -73.31 -58.44 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.652 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -57.54 -44.2 85.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.692 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.35 -25.52 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.802 0.334 . . . . 0.0 111.074 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.2 -28.25 38.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -72.8 -32.3 65.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -88.04 -31.35 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.247 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.525 HD23 ' HB2' ' A' ' 23' ' ' GLU . 57.4 mt -90.21 -3.35 57.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 57.5 33.99 24.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.407 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 24.7 mt -115.04 179.35 3.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.803 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 m -94.57 148.32 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.514 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -53.24 -52.34 59.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 0.0 110.714 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -62.83 -38.84 92.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.729 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -52.21 -40.17 61.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.1 t -61.54 -47.57 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -63.68 -54.81 29.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.3 mt -52.87 -34.72 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.886 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -60.29 -56.26 23.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -64.38 -26.58 68.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -61.5 -53.52 55.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -57.44 -43.14 83.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.505 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -61.07 -22.42 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.619 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -83.25 -39.17 21.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.83 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.3 mtt -53.45 -47.26 69.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.533 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.508 ' HE3' ' HE2' ' A' ' 64' ' ' MET . 63.3 pttt -59.08 -40.14 84.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.666 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.508 ' HE2' ' HE3' ' A' ' 63' ' ' LYS . 23.8 mmt -70.63 -17.03 62.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.029 0.442 . . . . 0.0 110.362 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -89.08 -9.74 50.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.006 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -87.91 -24.97 23.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.77 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.8 tpt -68.61 -64.16 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.968 179.83 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.818 0.342 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -113.68 -49.13 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -103.49 -2.23 27.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.1 mm -92.91 -48.43 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -138.84 -23.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.63 -178.21 0.1 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -100.14 -171.88 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.8 m -57.82 156.48 8.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.7 p -66.49 121.56 15.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.078 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -146.89 15.6 1.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -125.28 -72.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -88.68 157.77 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -138.56 -6.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.3 p -161.33 62.17 1.49 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -89.89 27.92 0.46 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.718 2.279 . . . . 0.0 113.067 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -93.17 160.48 14.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.679 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.485 HG23 HE21 ' A' ' 20' ' ' GLN . 14.8 t -99.88 168.73 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.057 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -61.75 -27.14 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.289 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -75.03 -42.02 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.324 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.485 HE21 HG23 ' A' ' 17' ' ' THR . 44.5 mt-30 -59.97 -57.58 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -61.45 -23.75 66.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.485 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -65.32 -51.7 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.572 -179.718 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.637 ' HB2' HD23 ' A' ' 46' ' ' LEU . 18.9 mm-40 -74.37 -34.69 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.81 -32.54 73.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.805 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.51 -35.95 33.92 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.388 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 72.8 mmtt -58.76 -37.39 76.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.684 0.278 . . . . 0.0 111.184 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -84.44 -21.85 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -65.67 -22.76 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.58 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.42 -58.58 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.22 0.534 . . . . 0.0 111.156 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -55.55 5.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.188 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m120 48.08 25.56 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.71 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.415 ' O ' ' HB3' ' A' ' 33' ' ' TYR . 4.6 mmt -79.37 14.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.599 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 32' ' ' MET . 76.8 t80 72.24 86.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.96 -179.96 1.33 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.741 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.9 t -106.88 175.83 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -58.58 -32.53 69.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.357 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -57.37 -41.97 81.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.716 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -75.35 -50.46 15.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.05 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -51.76 -31.55 27.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -72.06 -59.13 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.666 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.4 -43.56 83.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.756 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 m -69.72 -21.64 24.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.709 0.29 . . . . 0.0 111.275 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 48' ' ' LEU . . . -81.93 -26.59 33.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 110.786 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -73.61 -35.16 65.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.72 -26.03 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.975 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.637 HD23 ' HB2' ' A' ' 23' ' ' GLU . 50.6 mt -94.57 -4.18 48.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.825 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 59.49 32.85 21.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.972 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 22.3 mt -117.1 179.74 3.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.78 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.6 m -97.91 149.76 22.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.63 -34.02 61.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.936 0.398 . . . . 0.0 111.083 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -79.75 -53.41 6.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.339 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -44.93 -51.14 10.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.999 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.56 -40.16 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.686 0.279 . . . . 0.0 111.603 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -64.95 -62.29 1.65 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 111.041 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.0 mt -53.3 -31.7 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.394 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -60.88 -46.15 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -74.76 -33.06 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.986 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -54.6 -58.02 9.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.929 0.395 . . . . 0.0 110.943 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -64.88 -42.13 95.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.543 ' HD3' ' HD3' ' A' ' 63' ' ' LYS . 6.1 tpp180 -52.16 -24.74 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.188 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -82.75 -50.17 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.027 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.5 mtp -58.7 -45.19 90.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.761 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.543 ' HD3' ' HD3' ' A' ' 60' ' ' ARG . 22.3 ptmt -58.22 -37.41 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.158 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.9 mtp -82.75 -10.97 58.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.658 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -103.64 14.49 31.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -23.45 62.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.971 0.415 . . . . 0.0 110.649 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -108.51 -28.01 9.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.833 179.895 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 6' ' ' ALA . 26.3 m-80 -108.91 -50.15 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -106.27 -86.05 0.49 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.247 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.8 mm -119.85 -17.7 6.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -176.57 13.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 2' ' ' ASN . . . -54.88 125.86 21.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -120.5 -69.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.943 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.7 t -117.59 173.15 6.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.6 p -82.28 3.62 26.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -160.85 117.93 2.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -94.77 164.24 13.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -111.79 149.85 31.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -158.42 -64.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.494 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.498 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 74.2 m -144.44 57.26 4.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.681 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 14' ' ' CYS . 89.9 Cg_endo -92.83 30.72 0.29 Allowed 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.996 2.464 . . . . 0.0 113.005 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -74.87 146.74 41.67 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 20' ' ' GLN . 15.1 t -100.08 179.14 4.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -74.07 -26.52 60.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.28 -38.09 51.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.592 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.553 ' H ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -64.51 -38.7 91.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.997 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -82.08 -23.21 35.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -64.01 -46.33 85.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.59 ' HB2' HD22 ' A' ' 46' ' ' LEU . 20.0 mm-40 -73.47 -41.23 63.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.349 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.38 -32.41 74.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.753 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.4 pt-20 -80.95 -33.45 33.96 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.224 -0.191 . . . . 0.0 111.374 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 37.4 mmtm -57.16 -42.07 80.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.297 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -84.56 -33.45 23.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -51.86 -22.5 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.084 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.13 -60.23 3.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 111.418 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -104.96 -52.45 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.666 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 p30 36.39 43.07 0.22 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.751 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -59.02 -38.74 79.97 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.205 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -168.05 141.05 3.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -107.36 117.72 34.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -113.88 171.88 7.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.699 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -56.56 -28.07 59.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.185 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.6 -54.65 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -66.68 -55.05 16.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.28 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -49.15 -34.51 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.885 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -73.0 -59.43 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.43 -42.93 71.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.558 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 m -72.06 -20.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.321 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.35 -27.89 34.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.386 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -76.14 -32.61 59.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.1 m -87.74 -30.63 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.394 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.59 HD22 ' HB2' ' A' ' 23' ' ' GLU . 81.5 mt -93.49 -3.21 53.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.37 37.75 28.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.013 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.47 HD21 HE22 ' A' ' 52' ' ' GLN . 31.1 mt -114.13 178.55 4.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.072 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.43 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 22.7 m -85.56 152.02 23.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.676 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.01 -36.22 70.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -85.52 -31.52 22.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.409 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.47 HE22 HD21 ' A' ' 48' ' ' LEU . 51.3 tt0 -52.7 -30.95 35.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.384 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.01 -61.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.683 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -62.22 -34.79 77.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.653 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.61 -30.88 50.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.83 0.348 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.16 -51.44 61.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -67.7 -38.58 83.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -58.33 -49.43 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' HA ' ' HE2' ' A' ' 62' ' ' MET . 94.2 m-20 -55.42 -46.05 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.977 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -62.22 -21.95 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -83.72 -37.1 23.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.408 ' HE2' ' HA ' ' A' ' 59' ' ' ASN . 34.1 mtm -55.63 -46.53 77.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.255 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -58.63 -31.25 67.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.561 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 95.6 mmm -86.18 -16.07 38.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.063 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -69.68 -4.55 20.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.244 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.21 -34.35 12.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.639 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -169.09 138.0 2.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.755 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.001 -179.869 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' N ' ' HB2' ' A' ' 6' ' ' ALA . . . . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -167.55 -51.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -165.56 -19.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.6 mt -59.07 -60.81 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -134.62 -4.64 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB2' ' N ' ' A' ' 1' ' ' ALA . . . -146.99 171.01 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.277 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -135.77 -67.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.674 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.5 p -109.12 -19.71 13.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.2 m 58.38 96.09 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -164.14 17.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.492 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -84.49 107.45 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.148 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.516 ' HB2' ' HG3' ' A' ' 15' ' ' PRO . 75.6 mmtt -131.12 168.45 17.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.45 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -97.51 -35.55 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.001 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.7 t -154.71 70.05 5.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 66.5 Cg_endo -90.21 16.7 1.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.627 2.218 . . . . 0.0 112.756 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -107.61 155.58 19.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.482 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.62 ' H ' ' NE2' ' A' ' 20' ' ' GLN . 25.1 p -95.52 169.12 10.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.15 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -74.6 -19.9 60.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.58 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -83.28 -47.77 11.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.092 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.62 ' NE2' ' H ' ' A' ' 17' ' ' THR . 8.5 pt20 -62.53 -33.52 75.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.166 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 t -82.3 -25.28 34.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.096 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -62.32 -39.49 93.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.529 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.4 mm-40 -82.99 -46.28 13.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.339 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.09 -26.11 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.549 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -80.43 -33.73 36.68 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.717 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 71.2 mmtt -55.67 -40.39 72.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.932 0.396 . . . . 0.0 110.512 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -84.95 -35.35 22.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.526 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -50.16 -21.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.332 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.49 -59.78 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.245 0.545 . . . . 0.0 111.007 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -105.18 -55.69 2.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.037 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 p30 39.2 22.91 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.918 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.4 mtp -92.18 -13.43 30.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.176 0.512 . . . . 0.0 110.354 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -152.78 132.78 13.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.546 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.482 HD22 ' HE ' ' A' ' 39' ' ' ARG . 10.8 tp -141.61 143.46 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.808 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -120.28 171.64 8.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -63.15 -35.43 80.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.73 -39.25 90.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.344 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -72.16 -48.92 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.745 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.482 ' HE ' HD22 ' A' ' 34' ' ' LEU . 94.5 mtt180 -54.69 -31.07 57.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.521 ' HA ' ' HG3' ' A' ' 50' ' ' GLU . 69.2 t80 -74.37 -59.12 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.928 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.82 -41.39 67.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.603 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 m -74.02 -22.78 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.282 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.34 -28.73 31.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.487 ' HA ' ' HE ' ' A' ' 44' ' ' ARG . 2.7 mmp_? -76.47 -29.86 57.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 m -87.72 -33.26 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.429 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 23' ' ' GLU . 74.6 mt -89.33 1.13 56.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.6 m120 58.47 32.19 21.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.1 mt -114.76 179.07 4.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.416 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 15.7 m -95.74 147.53 23.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.656 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.521 ' HG3' ' HA ' ' A' ' 40' ' ' TYR . 2.4 mp0 -56.51 -36.34 69.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 8.9 mpt_? -73.94 -41.18 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.068 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.416 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 18.7 mm-40 -57.03 -23.82 49.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.24 -62.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.554 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 51' ' ' ARG . 50.3 pttt -62.0 -46.2 90.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.689 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.9 mt -55.89 -35.03 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.152 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -60.79 -53.53 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.542 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.92 -32.31 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.477 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 62' ' ' MET . 68.8 mt-30 -58.04 -50.93 71.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.061 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -54.14 -43.64 70.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.05 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 71.4 mtt180 -63.11 -23.14 67.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.187 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 43.7 ttp180 -84.41 -42.79 15.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.864 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 17.4 ptm -83.79 -12.31 55.85 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HZ2' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.13 -40.55 90.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.771 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.5 mtm -85.75 -18.62 32.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 61' ' ' ARG . 46.3 mmtm -73.08 -29.14 62.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.212 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -86.09 5.73 32.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.187 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 96.4 mmm -111.62 103.39 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.331 -0.843 . . . . 0.0 110.858 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.803 0.335 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -99.6 -179.62 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 19.2 m-90 -68.71 -17.73 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.0 mm -93.3 16.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.597 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 60.29 27.14 16.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.011 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.62 112.3 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.231 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -154.28 139.19 17.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.8 p -132.91 116.61 16.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.6 p 52.38 -173.19 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.663 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -158.5 146.51 18.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.574 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -103.82 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.115 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 61.57 171.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.297 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -117.78 -20.12 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.274 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.0 p -151.08 68.57 8.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.623 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -91.31 33.04 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.966 2.444 . . . . 0.0 112.582 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -54.59 151.88 7.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.241 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.611 HG22 ' H ' ' A' ' 20' ' ' GLN . 10.2 t -100.58 167.37 10.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 3.8 mptp? -66.42 -28.66 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.759 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -67.97 -44.9 75.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.611 ' H ' HG22 ' A' ' 17' ' ' THR . 67.4 mt-30 -55.8 -55.5 31.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.174 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -68.31 -22.22 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -49.48 77.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.453 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.606 ' HB2' HD23 ' A' ' 46' ' ' LEU . 13.9 mm-40 -70.47 -40.02 73.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.838 0.351 . . . . 0.0 111.496 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.82 -32.46 73.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.914 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.41 -39.33 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.625 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -57.17 -37.11 71.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.499 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -83.32 -34.99 25.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.744 0.306 . . . . 0.0 111.361 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -52.53 -22.8 5.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.543 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 mt -75.73 -62.68 1.5 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.135 0.493 . . . . 0.0 111.938 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -105.47 -56.17 2.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.806 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -77.98 64.78 3.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.665 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.4 mtt -61.76 -28.62 69.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -129.85 113.15 14.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.285 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.9 mt -89.11 175.99 7.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.174 0.511 . . . . 0.0 111.809 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.4 t -120.08 -176.55 3.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.534 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -58.95 -38.35 78.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 110.578 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.54 -57.18 8.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -56.92 -49.05 76.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -52.09 -31.93 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.41 -58.62 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.445 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -57.56 -45.81 84.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.581 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.0 m -66.09 -23.54 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.72 0.295 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.38 -25.0 34.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -77.5 -32.82 54.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -87.77 -25.89 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.305 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.606 HD23 ' HB2' ' A' ' 23' ' ' GLU . 46.6 mt -95.55 -5.28 43.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.39 33.62 22.46 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.802 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.2 mt -115.47 179.11 4.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.454 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 44.6 m -91.85 145.61 24.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.36 -55.47 21.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -62.14 -34.6 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB2' ' HB ' ' A' ' 49' ' ' THR . 53.1 tt0 -58.0 -31.78 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.2 t -59.9 -60.49 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.334 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -62.73 -38.16 89.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.306 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.3 mt -67.63 -27.94 40.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -66.95 -51.41 55.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.76 -39.4 87.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.1 -54.08 50.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.69 -47.21 73.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -57.07 -25.49 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -82.97 -35.32 26.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.1 mtp -57.47 -49.88 74.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -58.95 -36.68 75.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 65.2 mtt -77.54 -16.56 58.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -83.8 -9.23 58.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.299 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.622 ' HZ2' ' HB2' ' A' ' 66' ' ' LYS . 4.9 ttmp? -95.79 -34.87 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.5 ptm -167.75 -171.57 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.929 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.762 0.315 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -159.39 -50.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.812 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -156.86 -32.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.3 pt -82.98 -30.06 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.275 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -94.03 -48.64 6.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.23 -171.51 0.12 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.351 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 59.62 96.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.174 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.8 m -156.32 -30.7 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.4 p -87.34 112.09 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -113.33 167.99 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -77.25 172.79 12.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.07 103.22 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.043 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -88.77 -54.93 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.626 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.5 t -154.09 81.48 4.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.558 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -83.4 25.03 0.7 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.584 2.189 . . . . 0.0 112.368 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -85.48 173.19 10.42 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.977 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.68 HG23 ' H ' ' A' ' 20' ' ' GLN . 7.1 t -100.6 167.36 10.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.757 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -70.04 -31.54 69.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 -179.71 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -69.34 -49.64 53.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.382 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.68 ' H ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -54.74 -56.27 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.237 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -63.4 -24.46 67.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.692 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -41.96 99.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.461 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.579 ' HB2' HD23 ' A' ' 46' ' ' LEU . 18.6 mm-40 -83.27 -46.82 12.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.567 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.27 -34.26 70.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.845 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.72 -32.92 73.06 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.157 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.29 -45.71 92.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -83.94 -27.27 28.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.353 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -53.67 -22.01 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -62.48 -59.13 5.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.47 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -104.81 -53.76 2.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.883 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 p30 37.58 27.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.778 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.7 mmm -81.11 -22.71 38.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.789 0.328 . . . . 0.0 110.581 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.7 t80 175.61 140.21 0.06 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.379 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.1 mt -132.39 174.53 10.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 111.16 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 t -117.23 163.65 15.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.942 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -57.46 -27.09 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.93 -45.64 88.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -77.68 -51.43 10.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.417 ' NH2' ' HD3' ' A' ' 51' ' ' ARG . 60.9 mtp180 -51.88 -29.84 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.3 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.424 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 39.9 t80 -77.12 -56.86 4.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.64 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.53 -42.55 83.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.592 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 m -70.55 -25.16 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.25 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -80.16 -27.85 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -75.63 -30.65 59.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.164 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 m -88.19 -30.42 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.452 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.579 HD23 ' HB2' ' A' ' 23' ' ' GLU . 95.3 mt -91.68 2.58 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.011 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 59.17 30.79 20.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.221 0.534 . . . . 0.0 110.711 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 27.8 mt -113.51 179.59 3.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.745 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -106.42 149.28 27.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 40' ' ' TYR . 37.9 mt-10 -50.81 -32.22 19.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.869 0.366 . . . . 0.0 111.342 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HD3' ' NH2' ' A' ' 39' ' ' ARG . 31.1 mmt180 -84.99 -51.98 6.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.235 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -47.46 -45.91 26.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.343 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.1 -42.49 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.551 ' HZ1' ' NE2' ' A' ' 58' ' ' GLN . 21.3 ttpp -66.96 -52.72 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.616 0.246 . . . . 0.0 110.879 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.431 ' HA ' HE21 ' A' ' 58' ' ' GLN . 81.1 mt -59.83 -28.16 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.083 0.468 . . . . 0.0 110.513 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -58.17 -53.96 52.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -68.34 -39.37 81.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.551 ' NE2' ' HZ1' ' A' ' 54' ' ' LYS . 45.7 mt-30 -52.27 -53.74 40.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -55.69 -46.38 77.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -54.45 -24.17 19.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.314 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 2.0 mmp_? -82.66 -45.73 14.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.537 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 36.4 mtp -50.6 -52.3 40.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.016 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.623 ' HZ2' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -57.24 -30.92 65.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.192 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 26.5 mmt -83.08 -20.36 35.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.64 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -82.87 -6.2 59.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.948 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -85.63 1.0 51.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 23.0 ptp -134.6 -22.91 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.725 179.806 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.483 ' HB3' HH21 ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -66.05 176.6 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -100.47 6.19 44.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.0 mm -113.98 -27.25 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -109.48 -30.31 8.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.972 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.54 176.61 0.14 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.28 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.483 HH21 ' HB3' ' A' ' 1' ' ' ALA . 20.5 tpp180 -95.09 -57.94 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.9 m -88.96 150.06 23.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.783 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.538 HG22 ' HG3' ' A' ' 10' ' ' ARG . 40.5 m -70.27 123.57 22.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.538 ' HG3' HG22 ' A' ' 9' ' ' THR . 55.0 mtm180 54.41 -174.17 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.31 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -125.79 -45.34 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.742 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -92.33 160.26 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.922 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -102.3 -43.73 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -147.29 74.15 11.78 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.621 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -90.82 30.78 0.35 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.919 2.413 . . . . 0.0 112.831 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -59.12 161.32 5.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.25 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.428 HG21 ' H ' ' A' ' 20' ' ' GLN . 10.3 t -100.14 174.82 5.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.72 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -63.07 -29.63 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -70.96 -50.14 37.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.573 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.428 ' H ' HG21 ' A' ' 17' ' ' THR . 15.9 mm100 -57.65 -51.62 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.309 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -66.14 -24.71 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.676 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -51.36 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.143 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.558 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.5 mm-40 -67.04 -43.16 83.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.507 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.57 -40.32 96.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.793 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.38 -27.37 60.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.673 0.273 . . . . 0.0 110.692 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.444 ' HE3' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -59.32 -40.26 85.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.833 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.54 -20.02 32.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.521 ' HA ' HD22 ' A' ' 31' ' ' ASN . 58.3 t80 -64.92 -23.14 67.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.972 0.415 . . . . 0.0 110.817 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.64 -60.98 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.593 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -54.23 11.92 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.755 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.521 HD22 ' HA ' ' A' ' 28' ' ' PHE . 9.5 m120 61.49 15.18 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.11 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 mmm -78.13 7.75 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.1 t80 70.48 105.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.59 -178.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.618 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 t -119.96 178.87 4.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.13 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -56.16 -39.07 71.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.947 0.403 . . . . 0.0 110.597 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.61 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.589 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 24.4 mmt180 -60.97 -47.86 84.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.673 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -51.49 -30.49 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -77.34 -55.33 5.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.106 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 12.0 pt-20 -61.92 -44.88 95.86 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -67.73 -28.6 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.592 0.234 . . . . 0.0 111.524 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 48' ' ' LEU . . . -78.75 -27.35 44.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -72.19 -31.44 65.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.9 m -88.15 -26.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.034 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' A' ' 23' ' ' GLU . 91.4 mt -92.86 -8.57 43.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.037 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.7 t30 61.18 34.22 18.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.704 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 21.6 mt -119.81 179.2 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.714 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.465 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 22.3 m -90.56 149.06 22.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.714 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -55.14 -35.02 64.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.218 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.58 -33.64 58.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.363 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.465 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 28.8 mm-40 -62.4 -28.84 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.437 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.0 t -72.71 -53.41 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.462 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -62.93 -43.46 98.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.461 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.98 -27.94 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.147 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -65.14 -56.7 11.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.99 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -63.08 -35.13 79.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.165 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 62' ' ' MET . 34.8 tt0 -59.68 -55.57 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.812 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -51.36 -45.47 62.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.252 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -60.0 -25.57 65.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -83.89 -60.39 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.445 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 8.2 ptp -59.5 -29.63 67.99 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -59.12 -36.67 75.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.367 . . . . 0.0 110.52 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.5 mtm -85.5 -12.58 51.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.349 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -98.26 9.62 42.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -84.3 -32.2 24.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 69.8 mtm -105.69 138.04 42.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.879 179.935 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.415 ' ND2' ' H ' ' A' ' 5' ' ' HIS . 26.3 p-10 -138.04 -165.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.56 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 39.3 p-90 -118.96 10.08 12.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.3 mm -107.83 -39.68 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.144 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.415 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 47.9 t60 -99.26 -18.42 17.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.88 111.45 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.067 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -89.97 -4.42 57.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.0 t -128.06 107.42 9.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.7 t -170.51 157.66 6.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -145.53 142.89 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.757 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HG3' ' HG3' ' A' ' 12' ' ' LYS . 15.9 tppt? -163.36 146.26 10.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.634 ' HE2' ' HB3' ' A' ' 15' ' ' PRO . 37.9 mtmm 64.15 152.73 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.527 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -100.08 -5.42 27.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.478 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.491 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 78.2 m -140.16 50.79 2.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.145 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.634 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 96.0 Cg_endo -84.96 24.87 0.73 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.407 2.071 . . . . 0.0 112.646 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -83.01 157.55 22.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.576 HG23 ' H ' ' A' ' 20' ' ' GLN . 8.9 t -86.89 166.32 15.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.38 -34.0 68.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.458 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -69.3 -50.87 42.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.289 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.576 ' H ' HG23 ' A' ' 17' ' ' THR . 25.8 mt-30 -55.32 -45.41 76.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.321 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -74.28 -23.44 59.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.347 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -37.82 83.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.591 ' HB2' HD22 ' A' ' 46' ' ' LEU . 17.9 mm-40 -81.71 -46.35 14.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.981 0.419 . . . . 0.0 111.157 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.46 -30.94 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.81 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.92 -30.17 62.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.629 0.252 . . . . 0.0 110.891 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -61.07 -44.53 97.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.641 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -83.74 -31.2 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -50.2 -22.23 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.97 -62.11 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 0.0 111.266 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -106.35 -53.41 2.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.244 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 p30 37.5 29.12 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.482 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 90.8 mmm -77.03 -26.49 53.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -171.81 143.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.564 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.0 mt -134.42 173.52 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.262 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.6 t -120.34 171.25 8.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.128 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -63.05 -36.98 85.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.501 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -59.47 -36.84 76.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -68.97 -52.93 23.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.189 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -51.98 -33.59 38.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -74.38 -58.92 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.06 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -54.51 -43.39 71.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.678 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -71.49 -22.59 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.727 0.298 . . . . 0.0 111.112 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 48' ' ' LEU . . . -82.04 -26.85 33.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.906 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -80.01 -30.17 39.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.107 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 m -88.04 -33.3 6.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.279 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.591 HD22 ' HB2' ' A' ' 23' ' ' GLU . 95.2 mt -89.0 1.96 54.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.3 t30 59.44 31.96 21.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.049 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 21.2 mt -116.78 179.6 3.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.525 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 10.4 m -101.04 157.36 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.555 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.03 -33.65 57.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -83.33 -28.61 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.525 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 16.0 mm100 -66.83 -37.45 84.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.7 -39.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.03 -48.63 73.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.6 -27.33 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.703 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -60.77 -57.29 13.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -65.42 -33.81 76.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.601 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -59.35 -46.78 87.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.73 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -58.67 -45.52 89.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.773 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -60.63 -21.93 63.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.649 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -81.81 -40.82 21.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.7 mtt -54.87 -44.4 74.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.3 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.569 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 56.9 pttt -64.63 -32.9 74.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.802 0.334 . . . . 0.0 110.819 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.536 ' HE1' ' HE3' ' A' ' 63' ' ' LYS . 22.8 mmt -80.52 -14.6 58.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.778 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -84.2 -26.11 29.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.569 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 61.2 pttt -100.86 -17.86 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.72 123.05 18.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 t30 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.896 -179.845 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.69 0.281 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.519 ' N ' HD21 ' A' ' 2' ' ' ASN . 0.9 OUTLIER 59.74 11.05 2.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.239 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -145.33 -0.47 0.86 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.4 mt -135.76 -34.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.762 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -116.71 -52.8 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.03 99.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -124.36 140.19 53.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p -170.27 126.08 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.5 p -136.91 -4.06 1.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -91.93 115.17 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.792 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? 61.74 -83.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.174 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' HB3' ' HG3' ' A' ' 15' ' ' PRO . 27.7 tptp 64.8 152.01 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -72.18 -53.59 12.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m -139.02 79.15 27.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.736 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HG3' ' HB3' ' A' ' 12' ' ' LYS . 91.8 Cg_endo -91.56 32.32 0.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.918 2.412 . . . . 0.0 112.656 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -57.91 162.69 3.11 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.368 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 20' ' ' GLN . 8.9 t -99.8 172.52 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.597 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -61.97 -32.22 72.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.652 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -72.05 -52.71 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.496 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.51 ' H ' HG22 ' A' ' 17' ' ' THR . 26.3 mt-30 -55.88 -40.65 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.363 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.2 t -78.18 -23.79 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.31 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -58.86 -43.52 90.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.89 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.52 ' HB2' HD21 ' A' ' 46' ' ' LEU . 24.0 mm-40 -79.49 -42.79 24.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.37 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.61 -28.73 70.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.649 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 12.0 pt-20 -80.8 -42.53 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.39 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 22' ' ' LEU . 28.7 mtpp -50.93 -38.44 50.24 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.641 0.257 . . . . 0.0 111.213 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.55 -36.5 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.585 ' HA ' HD22 ' A' ' 31' ' ' ASN . 80.1 t80 -51.94 -22.01 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.789 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 25' ' ' GLU . 18.6 mt -61.57 -61.81 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.09 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.504 ' HB3' ' HG3' ' A' ' 32' ' ' MET . 0.1 OUTLIER -105.69 -47.58 3.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.585 HD22 ' HA ' ' A' ' 28' ' ' PHE . 11.7 m120 53.5 34.27 17.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.071 -177.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.504 ' HG3' ' HB3' ' A' ' 30' ' ' PHE . 74.3 mtp -42.31 -37.19 1.45 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.759 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 t80 178.08 143.51 0.11 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.741 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.24 115.03 28.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 t -117.72 163.84 15.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.247 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.27 -40.68 82.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.625 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -63.47 -26.6 68.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.975 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -82.45 -52.14 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -58.25 -28.3 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.898 0.38 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -74.79 -56.93 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.467 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.84 -41.46 77.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.449 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 m -72.19 -22.54 21.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.079 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.15 -28.05 32.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.496 ' HA ' ' NE ' ' A' ' 44' ' ' ARG . 4.8 mmp_? -74.66 -31.82 62.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.97 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.3 m -88.11 -29.55 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.091 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 23' ' ' GLU . 82.7 mt -93.67 -3.09 53.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.27 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 57.73 34.28 24.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.803 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 28.5 mt -114.43 179.32 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.454 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 12.3 m -92.04 153.84 19.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -61.95 -33.74 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.472 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 1.5 mmp_? -82.53 -25.97 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.53 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 76.1 mt-30 -69.5 -41.67 75.78 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 m -63.71 -42.86 97.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 19.7 ptmt -69.57 -51.63 33.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.161 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.408 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 96.1 mt -59.35 -26.89 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 110.639 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.27 -51.44 66.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.641 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -65.05 -39.63 93.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.793 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -54.56 -61.09 2.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.93 -44.33 97.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.797 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -57.57 -21.98 42.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.743 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -83.32 -40.87 18.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.8 mtm -56.0 -46.3 78.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.731 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -55.31 -33.27 63.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 0.0 110.793 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 87.7 mtp -78.94 -23.65 44.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -82.98 2.59 33.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.095 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -106.84 20.52 18.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.097 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 57.7 ttp -161.26 -62.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.771 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.3 t30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.886 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.486 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.825 0.345 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -91.24 -42.99 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -122.63 27.49 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.6 mm 62.99 7.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.079 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -124.43 -9.4 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.815 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.486 ' HB2' ' HA ' ' A' ' 1' ' ' ALA . . . -71.48 101.54 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.315 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -127.22 110.27 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.772 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.9 m -144.05 171.1 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.062 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.6 p -125.26 -173.77 2.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.08 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -122.52 147.2 46.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt 62.23 170.57 0.13 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.286 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 56.84 -168.25 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -133.5 30.41 3.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.948 0.404 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.6 m 53.25 67.85 3.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -84.5 22.0 1.0 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.797 2.331 . . . . 0.0 112.409 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -111.4 171.81 7.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.949 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 20' ' ' GLN . 6.3 t -100.02 161.74 13.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 4.1 mptp? -62.32 -26.09 68.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.582 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.99 -56.58 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.422 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.681 ' H ' HG23 ' A' ' 17' ' ' THR . 13.9 mm100 -49.84 -48.93 50.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.954 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -72.6 -24.24 61.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -42.66 70.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.647 0.261 . . . . 0.0 111.631 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.571 ' HB2' HD23 ' A' ' 46' ' ' LEU . 9.3 mm-40 -81.77 -41.39 21.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.15 -31.76 72.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.91 -26.29 63.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.045 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -70.69 -42.73 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.239 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.04 -26.85 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.202 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -53.42 -22.03 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.43 -59.59 5.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.4 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' O ' ' HG2' ' A' ' 32' ' ' MET . 3.5 t80 -105.26 -52.98 2.74 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.164 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.7 p30 37.65 27.41 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.656 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 20.1 mmt -88.92 -15.35 34.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -177.26 144.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.437 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD11 ' HG2' ' A' ' 38' ' ' ARG . 10.1 tp -143.8 159.0 43.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.993 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 t -104.59 158.22 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.24 -37.35 77.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.01 -35.68 71.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.216 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' HG2' HD11 ' A' ' 34' ' ' LEU . 19.3 tpt180 -78.9 -44.34 22.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.801 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' CZ ' ' HD3' ' A' ' 54' ' ' LYS . 75.6 mtt180 -56.93 -28.76 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.535 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.06 -57.38 4.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.216 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.52 -44.13 89.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.634 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.0 m -67.57 -23.72 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 111.217 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -82.26 -26.34 33.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -76.16 -31.2 58.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.073 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 m -87.88 -33.91 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.434 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.571 HD23 ' HB2' ' A' ' 23' ' ' GLU . 77.0 mt -87.63 -1.27 57.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.988 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 m120 59.17 32.43 22.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 19.5 mt -115.62 179.51 3.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.569 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.508 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 17.6 m -101.24 150.27 23.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.537 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.43 -47.56 63.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.554 ' HD2' ' HZ2' ' A' ' 54' ' ' LYS . 15.0 mmm180 -64.51 -40.28 95.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.201 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.508 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 83.0 mm-40 -54.63 -35.7 63.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.335 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.41 -55.67 22.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.338 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.554 ' HZ2' ' HD2' ' A' ' 51' ' ' ARG . 36.2 mtmm -62.09 -53.72 51.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.339 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.7 mt -55.14 -34.31 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.516 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -56.63 -57.67 11.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 110.639 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -68.22 -27.21 66.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.001 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -57.28 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.74 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.485 ' HA ' ' HG3' ' A' ' 62' ' ' MET . 48.8 m-80 -56.68 -43.39 80.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -53.31 -31.17 42.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.245 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -83.15 -33.15 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.497 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.485 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 37.4 mtp -55.4 -45.58 76.66 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -58.8 -34.7 71.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.762 0.315 . . . . 0.0 110.776 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.3 mtt -76.02 -22.49 55.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.046 0.45 . . . . 0.0 110.184 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -90.04 1.53 56.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HZ3' ' HB3' ' A' ' 66' ' ' LYS . 4.2 mmmp? -116.82 -10.69 11.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 51.7 tpp -113.73 -49.78 2.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.893 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.539 ' H ' ' HB2' ' A' ' 6' ' ' ALA . 75.9 m-20 58.57 28.27 16.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.073 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -153.88 -29.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 56.9 mt -82.83 -44.8 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.063 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -156.76 -25.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.818 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.539 ' HB2' ' H ' ' A' ' 2' ' ' ASN . . . -73.9 164.79 26.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -131.64 156.45 45.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.9 t -105.83 158.78 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.835 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.433 HG22 ' HG2' ' A' ' 10' ' ' ARG . 8.3 t -152.6 -5.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.097 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.454 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 3.0 mmp_? -119.53 134.93 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -110.56 134.87 52.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 56.3 95.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.379 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -72.42 -57.33 4.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.398 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.0 t -157.88 81.63 3.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.611 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -82.87 25.55 0.68 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.003 2.469 . . . . 0.0 112.401 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -92.43 166.88 12.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.877 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.615 HG21 ' H ' ' A' ' 20' ' ' GLN . 13.9 t -101.44 -176.79 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -81.98 -30.68 31.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -70.95 -43.74 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.615 ' H ' HG21 ' A' ' 17' ' ' THR . 12.4 mm100 -59.33 -57.15 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -62.09 -23.75 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.469 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -61.81 -44.08 97.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.649 ' HB2' HD23 ' A' ' 46' ' ' LEU . 16.9 mm-40 -77.58 -40.67 41.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.918 0.39 . . . . 0.0 111.371 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.38 -32.75 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.461 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.95 -29.36 43.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.991 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 29.9 mmmt -57.13 -42.89 81.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.756 0.313 . . . . 0.0 110.5 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -82.77 -32.86 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.511 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -51.38 -22.05 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.123 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.88 -59.27 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.151 0.5 . . . . 0.0 111.638 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -103.94 -54.46 2.55 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.445 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 p30 36.08 32.89 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.189 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.4 mmt -82.48 -21.27 35.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 111.081 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -171.06 117.89 0.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.667 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.446 HD22 ' HE ' ' A' ' 39' ' ' ARG . 13.6 tp -104.06 145.93 29.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t -120.15 160.45 22.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.182 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -58.16 -36.89 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -61.6 -32.61 72.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -80.96 -45.73 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.804 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' HE ' HD22 ' A' ' 34' ' ' LEU . 81.2 mtt180 -56.77 -29.6 62.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.667 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -72.95 -59.01 2.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.746 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -56.25 -43.66 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.498 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 m -70.39 -21.4 23.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.739 0.304 . . . . 0.0 111.208 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.03 -29.05 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.753 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -74.35 -30.52 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.943 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.6 m -88.07 -31.23 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.591 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.649 HD23 ' HB2' ' A' ' 23' ' ' GLU . 86.3 mt -90.32 0.37 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.259 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 59.87 29.99 19.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.068 0.461 . . . . 0.0 110.658 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.7 mt -114.66 179.54 3.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.711 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 53' ' ' VAL . 28.2 m -104.2 148.55 26.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.62 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -48.42 -35.85 13.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.051 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -77.28 -51.28 11.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -50.19 -29.27 8.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.71 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 49' ' ' THR . 98.3 t -71.28 -61.6 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.391 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.585 ' HZ1' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -59.28 -50.65 73.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.273 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.7 mt -51.6 -38.91 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.064 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -59.35 -47.87 83.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -66.88 -30.99 71.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 62' ' ' MET . 26.6 mt-30 -65.25 -62.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.646 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -55.47 -52.65 62.93 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -54.99 -25.88 32.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 111.224 -179.473 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -81.51 -37.36 27.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.343 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 30.3 mtt -56.18 -43.15 78.14 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 22.7 pttm -57.91 -33.39 68.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.716 0.293 . . . . 0.0 110.954 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.3 mtm -83.93 -17.13 41.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.737 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -99.34 4.6 46.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.616 ' HZ2' ' HB2' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -71.14 -33.76 70.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.706 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 95.7 mmm -99.97 167.27 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.488 -0.767 . . . . 0.0 111.034 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.674 0.273 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -115.37 2.35 13.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 63.32 19.02 11.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.9 mt -120.08 -37.73 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -126.55 10.63 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.32 -171.07 0.11 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.222 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -85.49 -17.85 35.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -98.78 103.31 15.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.8 m -147.75 111.57 5.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.964 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HB2' ' HG2' ' A' ' 12' ' ' LYS . 99.6 mtt180 -113.85 -172.72 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.15 -16.8 62.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.275 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HG2' ' HB2' ' A' ' 10' ' ' ARG . 21.7 pttp -62.06 118.42 7.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.104 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -173.95 -35.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.55 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . 46.0 t -66.76 -49.01 51.28 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.583 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 14' ' ' CYS . 83.4 Cg_endo -90.93 -100.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.563 2.175 . . . . 0.0 112.438 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -76.91 156.06 32.35 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.422 HG21 ' HG3' ' A' ' 20' ' ' GLN . 11.8 t -97.79 169.98 9.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -59.99 -23.71 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -74.24 -52.27 12.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.422 ' HG3' HG21 ' A' ' 17' ' ' THR . 54.5 mt-30 -53.12 -48.98 67.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -68.92 -26.42 65.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.303 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -39.98 94.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 111.087 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.498 ' HB2' HD23 ' A' ' 46' ' ' LEU . 29.8 mm-40 -77.16 -47.97 18.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.672 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.76 -31.88 72.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.736 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.74 -37.25 62.56 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.115 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -55.29 -41.63 72.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.192 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -84.63 -30.74 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.774 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.416 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 72.1 t80 -55.87 -21.01 17.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.153 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.99 -56.8 11.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.319 0.581 . . . . 0.0 111.405 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' C ' ' H ' ' A' ' 32' ' ' MET . 10.9 t80 -83.38 -60.88 2.0 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.106 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 28' ' ' PHE . 9.5 m120 50.22 4.56 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.686 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.532 ' H ' ' C ' ' A' ' 30' ' ' PHE . 63.3 mmm -89.18 -7.16 56.19 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.057 0.455 . . . . 0.0 110.323 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -176.44 148.95 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.224 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.1 tp -138.94 147.66 42.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.012 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 t -117.94 159.74 22.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 111.62 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -61.86 -38.02 86.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.312 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.26 -23.81 66.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -83.45 -56.26 3.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.756 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -52.72 -31.24 36.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -73.01 -57.15 4.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.77 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.93 -42.03 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.655 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -71.23 -21.81 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.338 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.13 -24.84 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.981 0.419 . . . . 0.0 111.103 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -82.07 -30.84 31.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 m -87.96 -30.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.365 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.498 HD23 ' HB2' ' A' ' 23' ' ' GLU . 97.3 mt -93.43 0.31 56.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.98 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.4 m120 58.36 34.94 24.46 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.959 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.451 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 24.0 mt -117.35 179.88 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.508 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 27.2 m -100.71 153.44 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.592 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -52.68 -34.48 52.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -80.12 -40.52 27.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.508 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 50.2 mt-30 -50.72 -38.05 45.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.257 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.4 t -53.04 -60.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.251 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -63.05 -38.45 91.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.71 -29.89 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.292 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -65.83 -57.3 8.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -59.63 -35.69 74.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.798 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.54 -48.2 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.494 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.498 ' HA ' ' HG3' ' A' ' 62' ' ' MET . 88.8 m-20 -59.36 -42.95 92.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.0 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -57.0 -26.05 59.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.776 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -83.49 -35.11 25.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.437 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.498 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 33.6 mtt -54.26 -47.3 72.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.038 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.43 ' HE2' ' HE1' ' A' ' 64' ' ' MET . 21.7 ptmt -53.99 -29.8 44.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.43 ' HE1' ' HE2' ' A' ' 63' ' ' LYS . 25.6 mmt -85.38 -22.42 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.49 11.97 20.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.688 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -77.54 0.35 23.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.481 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 91.7 mmm -59.55 -56.29 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.878 179.932 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.868 0.366 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -153.69 -63.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.591 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -114.4 -25.89 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.21 -49.19 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.045 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -99.4 -55.66 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.69 107.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.427 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -85.31 157.0 20.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.6 m -145.39 10.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.663 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 m -127.92 143.26 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 168.98 10.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -91.56 -33.72 15.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HD3' ' HG3' ' A' ' 15' ' ' PRO . 98.1 mttt 58.15 -169.73 0.12 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.283 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.584 ' HG3' ' H ' ' A' ' 14' ' ' CYS . 5.0 ptm180 -116.53 -80.34 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.087 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.584 ' H ' ' HG3' ' A' ' 13' ' ' ARG . 98.9 m -149.3 72.86 10.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.447 ' HG3' ' HD3' ' A' ' 12' ' ' LYS . 74.5 Cg_endo -91.71 26.84 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.877 2.385 . . . . 0.0 112.964 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -69.61 -179.78 1.86 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.779 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.587 HG21 ' H ' ' A' ' 20' ' ' GLN . 14.0 t -87.87 -173.6 4.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.448 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -79.61 -34.1 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.7 -43.42 59.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.681 0.276 . . . . 0.0 111.503 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.587 ' H ' HG21 ' A' ' 17' ' ' THR . 49.5 mt-30 -54.91 -56.11 23.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 t -66.32 -22.16 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.468 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -42.9 99.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.413 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -78.66 -42.58 28.25 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 111.258 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.87 -43.57 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.457 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.68 -32.38 74.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.391 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -56.83 -52.36 65.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.62 -22.65 37.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.413 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 83.7 t80 -54.92 -21.3 11.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.382 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.73 -56.69 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 111.358 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.483 ' C ' ' H ' ' A' ' 32' ' ' MET . 14.9 t80 -81.23 -61.38 1.96 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.258 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.545 ' HB3' HH21 ' A' ' 61' ' ' ARG . 10.3 m120 48.11 9.4 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.644 -178.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.483 ' H ' ' C ' ' A' ' 30' ' ' PHE . 56.4 mmm -87.74 -5.86 58.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.973 0.416 . . . . 0.0 110.385 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.2 t80 178.82 153.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.098 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 tp -143.63 148.83 36.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.424 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 t -113.96 157.67 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.328 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' HG3' HH21 ' A' ' 39' ' ' ARG . 56.2 ttp180 -62.45 -37.97 87.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.512 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.76 -24.63 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -81.3 -55.65 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.413 HH21 ' HG3' ' A' ' 36' ' ' ARG . 33.1 mtm180 -50.8 -32.47 20.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -71.69 -59.15 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.924 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.31 -42.57 86.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.821 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 12.8 m -69.77 -22.07 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.5 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.96 -27.28 36.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.965 0.412 . . . . 0.0 110.743 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -75.72 -31.97 59.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.041 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.2 m -88.17 -31.68 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.473 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.54 ' HB3' ' HG ' ' A' ' 48' ' ' LEU . 1.8 tp -94.38 3.13 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.323 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.543 ' N ' HD21 ' A' ' 47' ' ' ASN . 0.8 OUTLIER 55.95 36.39 27.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.377 179.268 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.54 ' HG ' ' HB3' ' A' ' 46' ' ' LEU . 30.0 mt -114.3 179.41 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.864 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.505 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 16.9 m -97.28 151.93 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.739 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -53.27 -39.3 63.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.342 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -73.29 -42.14 62.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.394 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.505 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 27.6 mt-30 -55.44 -23.64 26.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.674 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.404 HG13 ' HA ' ' A' ' 39' ' ' ARG . 44.5 t -71.17 -62.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.743 0.306 . . . . 0.0 111.45 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -61.26 -43.03 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.729 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.81 -39.31 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.394 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.409 ' HE1' ' NH2' ' A' ' 60' ' ' ARG . 66.6 t-105 -56.39 -57.4 12.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.135 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -61.83 -30.83 71.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -57.42 -49.91 74.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.402 ' HA ' ' HG3' ' A' ' 62' ' ' MET . 50.3 m-80 -57.55 -44.72 85.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.409 ' NH2' ' HE1' ' A' ' 56' ' ' TRP . 70.1 mtt180 -55.92 -26.54 48.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.545 HH21 ' HB3' ' A' ' 31' ' ' ASN . 38.6 mmt180 -82.68 -31.94 28.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.997 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.402 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 28.7 mtp -65.43 -41.07 93.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.713 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -60.17 -31.25 69.94 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.778 0.323 . . . . 0.0 110.952 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 79.6 mtp -85.76 -12.2 51.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.623 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -105.99 5.1 30.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -105.77 -31.48 8.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 55.2 ttp -56.76 140.12 48.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.832 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.781 0.324 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 5' ' ' HIS . 30.3 m-80 -91.14 18.81 6.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.756 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 72.7 t90 62.62 99.81 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.4 mm 58.58 61.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 2' ' ' ASN . 41.3 t60 -166.36 -58.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.912 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.51 109.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.238 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -136.91 -68.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -61.49 -30.11 70.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.8 p -130.09 169.64 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.373 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 63.46 168.75 0.15 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.19 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm 61.71 30.1 18.33 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -75.66 144.2 41.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -108.01 -74.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 72.9 m -144.81 60.21 7.07 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.03 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 14' ' ' CYS . 72.5 Cg_endo -91.9 28.54 0.37 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.898 2.399 . . . . 0.0 112.817 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.507 ' HA ' ' NE2' ' A' ' 20' ' ' GLN . 6.4 p90 -93.27 151.53 19.74 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.362 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.732 HG22 ' H ' ' A' ' 20' ' ' GLN . 9.8 t -100.22 162.56 12.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -59.72 -33.02 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.815 -179.219 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -73.47 -51.45 17.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 0.0 111.755 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.732 ' H ' HG22 ' A' ' 17' ' ' THR . 6.1 pt20 -57.92 -36.61 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.555 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -80.22 -24.05 40.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -37.62 85.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.005 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.532 ' HB2' HD23 ' A' ' 46' ' ' LEU . 19.0 mm-40 -82.76 -46.59 12.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.339 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.95 -29.73 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.456 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.7 -33.45 60.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.639 0.257 . . . . 0.0 110.702 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -57.46 -40.6 78.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -86.6 -30.2 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.58 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -51.07 -22.34 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.326 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.95 -58.6 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 0.0 111.18 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -105.08 -55.9 2.25 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.195 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 p30 38.11 28.31 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.662 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.6 mmt -81.36 -20.93 39.53 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.78 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -168.33 149.56 4.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.403 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 tp -141.84 147.81 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -118.59 168.15 10.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -55.74 -30.51 61.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.323 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.49 -49.69 76.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.789 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 22.8 mmt180 -73.59 -50.4 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -47.89 -37.81 14.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.424 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -71.77 -59.04 2.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.113 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 10.9 pt-20 -55.73 -43.75 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.3 m -71.59 -20.94 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.373 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.03 -28.8 32.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.986 0.422 . . . . 0.0 111.038 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -80.03 -28.47 39.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 HG21 ' HG ' ' A' ' 46' ' ' LEU . 14.6 m -88.2 -32.18 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.241 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' A' ' 23' ' ' GLU . 94.5 mt -93.52 2.26 56.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.019 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 58.0 33.69 23.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.637 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.6 mt -114.35 179.11 4.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.833 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.425 ' O ' HG21 ' A' ' 53' ' ' VAL . 23.5 m -93.68 149.43 21.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -54.87 -35.29 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.314 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -81.11 -40.47 24.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.321 -179.646 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -57.04 -21.52 31.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.448 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 49' ' ' THR . 92.1 t -72.21 -59.81 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.693 0.283 . . . . 0.0 111.209 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -61.33 -37.3 82.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.058 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.418 HG21 ' ND2' ' A' ' 59' ' ' ASN . 80.8 mt -68.35 -29.25 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.961 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -62.96 -46.57 87.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -71.12 -40.38 71.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -57.85 -54.5 46.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.121 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.491 ' HA ' ' HE2' ' A' ' 62' ' ' MET . 95.1 m-20 -53.66 -46.9 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -56.44 -26.35 53.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.272 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -84.04 -45.22 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.658 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.491 ' HE2' ' HA ' ' A' ' 59' ' ' ASN . 40.2 mtm -51.53 -42.36 61.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.074 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -58.65 -36.64 74.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.631 0.253 . . . . 0.0 111.09 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 68.9 mtm -85.23 -14.68 45.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -92.82 -15.45 26.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -73.84 -30.09 62.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 20.9 ptp -99.16 166.99 10.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.8 m120 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.358 -0.83 . . . . 0.0 111.215 179.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -140.17 -65.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -153.87 94.72 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.1 mm 56.83 17.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.131 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -87.5 -38.15 16.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.69 107.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.707 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 58.99 102.14 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.302 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.5 p -76.08 171.86 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 t -71.97 162.01 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 5.9 mmp_? -88.86 17.75 5.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.073 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -114.11 -67.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.702 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt 56.65 95.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.33 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -90.06 -72.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.573 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.3 m -149.66 67.72 8.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.768 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.13 19.62 1.34 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.438 2.092 . . . . 0.0 112.955 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -109.07 158.97 17.25 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.166 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.4 p -79.82 164.89 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.882 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.11 -17.89 64.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.545 178.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.21 -39.99 20.23 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -64.79 -37.42 87.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.274 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -82.31 -23.72 35.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.403 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -65.51 -42.22 92.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.233 -179.827 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.567 ' HB2' HD23 ' A' ' 46' ' ' LEU . 23.8 mm-40 -83.32 -46.12 12.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.694 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.35 -28.26 69.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 10.8 pt-20 -72.33 -34.71 68.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.772 0.32 . . . . 0.0 111.136 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.52 -39.55 94.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -86.17 -28.3 24.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -52.03 -22.35 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.71 -61.92 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.295 0.569 . . . . 0.0 110.847 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -105.64 -54.62 2.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.369 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 p30 40.33 22.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.594 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 85.2 mmm -89.86 -13.83 35.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 110.828 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -173.42 148.91 1.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.566 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.4 mt -141.29 172.77 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.105 0.478 . . . . 0.0 111.554 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 t -120.87 160.87 22.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -54.88 -36.74 65.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.06 -51.6 68.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.29 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -63.03 -54.69 34.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -48.17 -35.67 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.384 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -73.93 -58.97 2.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.63 -42.35 74.83 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 m -73.21 -22.31 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.536 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.63 32.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.902 0.382 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -79.33 -28.26 42.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.4 m -87.93 -34.17 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.362 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.567 HD23 ' HB2' ' A' ' 23' ' ' GLU . 94.8 mt -90.66 1.75 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 60.02 31.37 20.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.7 mt -111.14 179.0 4.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.785 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.535 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 19.7 m -102.05 146.88 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.755 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -50.65 -34.74 27.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.282 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.53 -35.31 30.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.33 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.535 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 26.2 mm-40 -61.98 -22.01 65.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.743 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.54 -50.26 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 111.549 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -67.73 -30.56 70.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.607 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.7 mt -79.33 -32.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.631 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -61.63 -57.32 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.951 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -65.59 -35.82 81.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -57.73 -49.35 76.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.73 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -53.97 -46.58 71.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -57.57 -27.22 62.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -82.92 -41.6 18.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.495 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.9 mtm -54.08 -46.0 71.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.623 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.494 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.64 -29.42 69.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.735 0.302 . . . . 0.0 110.817 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.5 mtp -85.64 -15.95 40.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -83.54 -45.03 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.46 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.494 ' HE3' ' HA ' ' A' ' 63' ' ' LYS . 22.3 pttp -71.25 -18.92 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.729 0.299 . . . . 0.0 111.215 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.449 ' HG3' ' HG3' ' A' ' 66' ' ' LYS . 85.3 mtp -116.43 112.55 21.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.225 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.5 m120 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.86 179.882 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -161.38 -66.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -160.76 -23.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.9 pt -55.83 -32.56 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -157.85 9.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 130.28 43.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -117.33 129.65 56.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.5 p -169.18 105.49 0.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.794 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.5 p -119.21 103.75 9.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.442 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 59.4 108.22 0.02 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.47 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -107.99 -35.9 6.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HG2' ' H ' ' A' ' 14' ' ' CYS . 41.7 ttmt -67.52 136.2 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.794 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -115.11 37.0 3.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.093 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.503 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 73.9 m -93.72 -39.83 0.32 Allowed Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.172 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 14' ' ' CYS . 2.5 Cg_endo -85.6 29.51 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.647 2.231 . . . . 0.0 112.449 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -55.31 164.78 0.87 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.995 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 20' ' ' GLN . 6.2 t -98.78 168.87 9.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 3.8 mptp? -62.13 -27.18 68.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.493 ' HH ' ' HB ' ' A' ' 45' ' ' VAL . 5.2 t80 -71.66 -47.69 52.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.243 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.553 ' H ' HG23 ' A' ' 17' ' ' THR . 19.4 mm-40 -54.04 -56.95 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -64.83 -23.54 67.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.811 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -41.78 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.402 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' HB2' HD22 ' A' ' 46' ' ' LEU . 14.7 mm-40 -82.78 -42.48 17.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.501 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.24 -34.45 76.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.737 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.17 -32.77 70.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.662 0.268 . . . . 0.0 111.231 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -61.48 -42.36 98.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -86.62 -26.64 24.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.995 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -53.42 -21.74 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.134 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.2 mt -62.32 -56.68 16.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.186 0.517 . . . . 0.0 111.283 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 32' ' ' MET . 19.6 t80 -105.2 -55.84 2.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.984 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 p30 34.71 28.17 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.821 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.434 ' HA ' ' HE2' ' A' ' 32' ' ' MET . 0.4 OUTLIER -98.84 -9.11 24.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.439 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.5 t80 175.87 128.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.398 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.7 mt -128.11 176.06 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.958 0.409 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.7 t -120.0 168.83 10.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.656 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -60.05 -35.94 76.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.723 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.05 -39.22 91.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.361 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -76.15 -56.91 4.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.257 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HD3' ' HD3' ' A' ' 54' ' ' LYS . 94.6 mtt180 -52.04 -30.35 25.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.45 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -76.53 -58.77 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.913 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.04 -40.41 67.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.657 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 m -73.59 -26.81 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.223 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 48' ' ' LEU . . . -82.3 -26.2 33.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -76.55 -30.48 57.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.032 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' HB ' ' HH ' ' A' ' 19' ' ' TYR . 12.5 m -87.96 -32.5 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.301 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.486 HD22 ' HB2' ' A' ' 23' ' ' GLU . 95.9 mt -90.06 -0.63 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.761 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 58.8 32.19 21.97 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 26.5 mt -113.01 179.66 3.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.707 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 m -91.54 155.59 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.714 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.36 -37.28 82.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.528 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 62.4 mtt180 -85.76 -33.52 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.929 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -65.19 -30.79 71.72 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.87 -43.51 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' A' ' 51' ' ' ARG . 46.7 pttt -70.24 -47.5 61.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.574 0.226 . . . . 0.0 111.46 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.82 -29.56 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.148 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -63.63 -52.3 61.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.029 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -63.13 -41.41 99.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.277 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -53.2 -61.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.79 -46.33 87.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.534 ' HD3' ' HD3' ' A' ' 63' ' ' LYS . 23.3 tpp180 -55.96 -25.34 43.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.3 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -81.79 -47.7 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.372 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.5 mtp -51.06 -47.19 61.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.612 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.534 ' HD3' ' HD3' ' A' ' 60' ' ' ARG . 22.2 ptmt -61.43 -34.52 75.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.033 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.3 mtm -80.41 -12.85 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.651 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -87.94 -30.88 19.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -112.46 17.5 19.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.7 mpt? 62.56 -82.87 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.453 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.902 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.653 0.263 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 60.46 17.61 7.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -138.23 -58.96 0.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.021 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 pt -117.22 -8.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.453 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -108.3 5.88 26.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.786 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.65 174.38 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.292 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -100.73 -156.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.673 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.1 p -49.9 139.0 14.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.797 0.332 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.0 p -59.45 122.24 13.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.311 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -105.21 -173.24 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -89.64 113.27 24.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 15' ' ' PRO . 22.5 tptm -89.72 156.92 18.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -62.93 -59.08 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.6 m -129.41 75.35 80.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.443 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 74.3 Cg_endo -89.93 31.42 0.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.966 2.444 . . . . 0.0 112.613 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -54.9 155.94 4.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.499 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.534 HG21 HE21 ' A' ' 20' ' ' GLN . 15.1 t -100.11 178.8 4.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.71 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -71.25 -33.75 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -66.75 -50.3 63.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.288 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.534 HE21 HG21 ' A' ' 17' ' ' THR . 46.5 mt-30 -59.77 -51.52 69.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.596 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -63.24 -24.0 67.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.38 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -65.14 -49.69 68.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.041 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HB2' HD21 ' A' ' 46' ' ' LEU . 16.8 mm-40 -64.84 -43.51 92.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.304 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.31 -38.81 85.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.91 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 10.5 pt-20 -71.13 -30.55 66.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.646 0.26 . . . . 0.0 110.994 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -59.87 -46.92 87.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -83.82 -28.87 27.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -48.52 -21.96 0.66 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.599 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.9 mt -64.56 -59.7 4.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.265 0.555 . . . . 0.0 110.95 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' MET . 23.5 t80 -105.19 -58.08 1.94 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.908 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 p30 35.72 25.7 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.777 -178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' PHE . 35.5 mtm -105.55 -3.22 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.013 0.435 . . . . 0.0 110.997 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -173.59 118.59 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.075 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.452 HD12 ' NE ' ' A' ' 39' ' ' ARG . 3.0 pp -143.82 -178.99 6.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.328 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 t -115.29 163.16 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.139 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -59.66 -35.12 73.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -60.8 -31.97 71.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -67.93 -56.33 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.452 ' NE ' HD12 ' A' ' 34' ' ' LEU . 93.2 mtt180 -52.91 -29.69 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.384 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -76.65 -59.03 2.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.621 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -54.75 -42.2 71.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.476 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.5 m -71.21 -26.71 27.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.107 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 48' ' ' LEU . . . -82.32 -25.71 33.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.01 0.433 . . . . 0.0 110.985 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.91 -32.22 63.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -88.38 -26.47 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.23 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 23' ' ' GLU . 88.5 mt -92.74 -2.08 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m120 59.66 32.83 21.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.165 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 22.1 mt -117.91 179.57 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 53' ' ' VAL . 27.3 m -101.79 147.07 26.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.701 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -50.29 -40.58 48.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.879 0.371 . . . . 0.0 111.007 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -65.36 -53.1 48.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -55.83 -25.93 44.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.538 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' THR . 70.3 t -72.88 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.707 0.289 . . . . 0.0 111.517 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.07 -45.25 91.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.775 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.2 mt -61.21 -33.18 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.535 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -61.34 -55.83 27.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.116 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -62.31 -43.98 97.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.438 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -53.65 -54.34 39.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.538 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -54.13 -45.49 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.253 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -59.18 -23.56 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.224 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -83.16 -45.77 13.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.315 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.3 mtp -51.33 -47.88 62.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.657 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -57.74 -34.11 69.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 62.1 mtt -77.86 -24.54 48.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.538 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.617 ' HB3' ' HZ1' ' A' ' 65' ' ' LYS . 4.0 mmmp? -82.76 0.65 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.754 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -84.6 -26.1 28.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.093 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -123.76 -31.51 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.054 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.329 -0.843 . . . . 0.0 110.926 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -155.02 -49.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.742 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -107.55 -22.65 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.731 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.34 -46.59 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.042 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -153.75 -6.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.73 -81.3 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.419 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -147.82 119.36 7.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -133.43 141.65 47.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.7 m -101.33 -13.97 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -99.76 154.42 18.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.114 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -76.8 151.5 35.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.832 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -167.14 32.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.66 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 62.1 23.53 13.9 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.555 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . 48.6 t -137.6 -49.8 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.536 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' A' ' 14' ' ' CYS . 70.6 Cg_endo -87.53 29.38 0.48 Allowed 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.315 2.01 . . . . 0.0 112.264 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.412 ' HB2' ' HB2' ' A' ' 20' ' ' GLN . 3.3 p90 -57.38 164.06 2.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.507 HG23 HE21 ' A' ' 20' ' ' GLN . 9.5 t -90.99 169.64 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -57.2 -30.57 64.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -67.91 -49.58 61.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.172 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.507 HE21 HG23 ' A' ' 17' ' ' THR . 49.1 mt-30 -59.38 -53.19 60.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.458 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -63.07 -23.76 67.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.447 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -61.9 -47.94 82.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.602 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.6 mm-40 -73.18 -39.14 65.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.13 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.43 -35.25 80.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.42 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 11.9 pt-20 -78.04 -28.09 48.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.865 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -59.67 -43.05 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.839 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -84.62 -34.69 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.565 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -48.64 -22.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.251 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.63 -61.37 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.209 0.528 . . . . 0.0 111.032 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -105.53 -55.15 2.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.269 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 p30 34.9 30.99 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.685 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 89.8 mmm -76.45 -28.18 56.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.788 0.328 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -177.56 144.19 0.38 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.87 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.3 mt -143.87 178.99 7.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.031 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -120.14 166.05 13.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -56.78 -36.9 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.09 0.472 . . . . 0.0 110.481 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.0 -34.21 67.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.819 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -77.39 -52.9 8.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.06 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -53.61 -30.1 41.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -74.29 -57.19 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.638 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.95 -46.02 85.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.583 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 m -65.31 -25.82 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 48' ' ' LEU . . . -80.99 -25.98 36.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -71.44 -34.96 70.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.793 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.4 m -88.02 -26.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.446 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.602 HD21 ' HB2' ' A' ' 23' ' ' GLU . 81.2 mt -95.17 -2.44 49.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.221 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 58.36 32.45 22.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 28.8 mt -111.55 179.73 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.739 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.6 m -99.28 151.28 21.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -55.08 -35.16 64.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -85.79 -34.74 21.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -57.63 -39.26 76.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.617 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 54' ' ' LYS . 30.6 m -68.11 -44.24 84.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.749 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' N ' HG22 ' A' ' 53' ' ' VAL . 54.5 mtmt -66.46 -49.43 66.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.742 0.306 . . . . 0.0 110.785 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 98.2 mt -56.7 -27.85 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.466 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -63.6 -52.67 59.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.564 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -62.37 -39.4 93.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -48.95 -57.07 7.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.361 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -57.53 -44.46 85.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.242 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -56.42 -23.16 36.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.233 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -83.53 -47.15 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.942 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.5 mtp -51.57 -49.22 62.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.34 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -56.7 -32.68 65.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.966 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.0 mtt -80.88 -24.73 38.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.628 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -77.55 -11.57 59.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.601 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -116.13 -3.9 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.679 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 51.3 ttm 61.49 -83.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.993 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.712 179.782 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.805 HG23 ' H ' ' A' ' 20' ' ' GLN . 11.1 t -101.06 159.85 14.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -67.4 -33.14 74.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.496 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.403 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 6.5 t80 -65.98 -45.15 82.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.981 0.42 . . . . 0.0 111.331 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.805 ' H ' HG23 ' A' ' 17' ' ' THR . 30.0 mt-30 -58.38 -57.51 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.312 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -62.47 -23.19 66.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.487 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -60.8 -53.77 53.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.191 -179.516 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HG3' HD13 ' A' ' 46' ' ' LEU . 13.0 mm-40 -67.07 -32.23 73.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.28 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.36 -39.9 81.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.385 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.52 -27.98 37.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.675 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -63.07 -40.09 96.66 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.71 -37.72 48.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.726 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -51.06 -23.23 2.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.476 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.49 -62.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.117 0.484 . . . . 0.0 112.098 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -105.01 -53.5 2.65 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.492 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -78.62 65.55 3.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.263 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 71.3 mtp -56.2 -33.16 65.05 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.333 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -101.72 163.41 12.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.307 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 39' ' ' ARG . 3.9 mm? -111.7 122.04 46.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 111.373 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -115.23 164.94 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -54.1 -35.09 61.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 111.078 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.02 -60.03 4.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 42' ' ' VAL . 31.7 mmt180 -62.79 -58.88 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.442 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' CZ ' ' HD3' ' A' ' 54' ' ' LYS . 59.3 mtp180 -41.47 -38.99 1.4 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.806 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -71.11 -59.31 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.93 -47.78 83.84 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 38' ' ' ARG . 10.1 m -62.63 -23.68 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 111.275 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -79.85 -24.69 41.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -79.78 -30.64 40.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.144 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.3 m -88.55 -29.73 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.27 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.544 ' HB3' ' HG ' ' A' ' 48' ' ' LEU . 2.0 tp -95.47 0.1 52.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 57.47 36.65 27.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.634 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 46' ' ' LEU . 30.0 mt -114.37 179.03 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.823 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 25.8 m -93.81 149.48 21.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.647 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -50.77 -39.1 51.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -85.81 -31.33 22.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.445 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.513 ' HB2' ' HB ' ' A' ' 49' ' ' THR . 8.8 tt0 -55.57 -45.22 77.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.921 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -72.07 -40.11 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.44 ' HD3' ' CZ ' ' A' ' 39' ' ' ARG . 37.4 ttpt -63.96 -49.69 71.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.912 0.387 . . . . 0.0 110.83 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.455 HG22 ' ND2' ' A' ' 59' ' ' ASN . 77.2 mt -61.61 -27.42 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.812 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -62.15 -47.94 82.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.683 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -70.06 -42.43 72.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.828 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 62' ' ' MET . 36.0 tt0 -54.81 -57.57 11.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.174 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.455 ' ND2' HG22 ' A' ' 55' ' ' ILE . 92.8 m-20 -51.87 -47.93 64.27 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.371 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -52.35 -28.85 21.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -83.76 -43.24 15.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.45 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 37.1 mtp -54.05 -46.68 72.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.544 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.707 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.0 p90 . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.969 0.414 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 20' ' ' GLN . 15.2 t -100.99 170.16 8.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.051 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -66.1 -32.81 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.674 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -48.25 38.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.781 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.663 ' H ' HG23 ' A' ' 17' ' ' THR . 17.4 pt20 -62.65 -38.72 91.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.32 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -77.27 -23.69 51.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -63.23 -54.52 36.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.504 -179.73 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.619 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.8 mm-40 -67.24 -40.55 86.32 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.05 -36.75 80.4 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -80.73 -42.44 21.88 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -58.38 -31.22 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.7 pt-20 -87.87 -34.25 18.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.639 0.257 . . . . 0.0 111.623 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -55.98 -23.08 30.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.331 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.33 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -105.96 -50.21 3.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.061 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 27' ' ' GLU . 79.3 m-20 -75.27 63.91 1.42 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.913 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.7 mtt -70.46 -21.21 62.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.097 0.475 . . . . 0.0 110.279 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -148.3 124.57 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.199 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 38' ' ' ARG . 96.1 mt -127.02 -179.67 4.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.078 0.466 . . . . 0.0 111.698 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -101.57 177.53 4.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.13 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -35.43 72.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -60.99 -53.24 59.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.54 ' HB3' HD13 ' A' ' 34' ' ' LEU . 6.0 mmt180 -62.89 -45.09 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.057 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -57.73 -25.68 60.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.449 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 83.9 t80 -76.02 -58.52 3.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.542 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.78 -41.09 70.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.323 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 m -71.86 -25.03 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.85 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.29 -25.52 33.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.632 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -74.28 -30.82 62.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.689 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 m -88.36 -27.58 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.619 HD21 ' HB2' ' A' ' 23' ' ' GLU . 64.2 mt -92.81 -4.73 52.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 58.89 31.94 21.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.639 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 28.6 mt -113.42 179.42 3.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.75 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.6 m -95.2 144.96 25.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.894 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 40' ' ' TYR . 43.6 mt-10 -52.96 -41.29 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.032 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 8.8 mpt_? -76.52 -33.24 58.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -64.88 -26.41 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.348 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.1 t -76.04 -51.8 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.706 0.288 . . . . 0.0 111.451 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HB2' ' NZ ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -63.4 -45.05 92.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.411 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.3 mt -63.07 -32.59 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.261 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -61.9 -52.46 64.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.034 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -67.46 -36.75 81.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.26 -44.82 88.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.665 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -58.44 -45.76 87.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 97.6 mtt180 -61.34 -21.68 64.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.093 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -82.8 -30.16 29.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.3 mtp -69.29 -41.67 76.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.488 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 62.3 pttt . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.726 0.298 . . . . 0.0 110.807 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.2 p90 . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 121.22 0.533 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -99.82 -176.53 3.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.124 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -82.34 -20.52 37.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.482 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -82.94 -43.52 16.38 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.046 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.579 ' HA ' HD22 ' A' ' 46' ' ' LEU . 80.3 mt-30 -59.65 -40.13 86.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.962 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -80.34 -23.64 40.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -62.08 -42.32 99.09 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.858 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.496 ' HB2' HD11 ' A' ' 46' ' ' LEU . 18.1 mm-40 -78.5 -44.11 25.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.362 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.91 -34.22 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.425 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.8 -28.55 50.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.552 0.215 . . . . 0.0 111.221 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 8.2 mmmm -56.86 -45.23 82.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -86.13 -28.56 23.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.635 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 65.3 t80 -53.39 -21.12 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.996 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -62.13 -57.64 10.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.273 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.35 -55.61 2.3 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.619 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.635 ' ND2' ' HA ' ' A' ' 28' ' ' PHE . 24.6 m-20 45.14 17.14 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.288 -178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.5 mmt -65.32 -9.78 27.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 0.0 110.653 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -179.59 147.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.107 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.479 HD23 ' HE ' ' A' ' 39' ' ' ARG . 10.8 tp -135.8 144.05 45.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.1 t -120.33 161.58 20.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.317 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.84 -39.17 80.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.303 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.44 -29.44 67.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.672 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.411 ' H ' HG23 ' A' ' 35' ' ' THR . 25.1 tpp180 -79.92 -51.36 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.395 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.479 ' HE ' HD23 ' A' ' 34' ' ' LEU . 86.0 mtt180 -54.43 -28.73 46.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.11 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -73.31 -58.44 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.652 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -57.54 -44.2 85.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.692 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.35 -25.52 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.802 0.334 . . . . 0.0 111.074 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.2 -28.25 38.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -72.8 -32.3 65.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -88.04 -31.35 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.247 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 20' ' ' GLN . 57.4 mt -90.21 -3.35 57.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 57.5 33.99 24.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.421 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 24.7 mt -115.04 179.35 3.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.803 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 m -94.57 148.32 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.514 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 2.0 mp0 -53.24 -52.34 59.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 0.0 110.714 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -62.83 -38.84 92.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.729 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -52.21 -40.17 61.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.1 t -61.54 -47.57 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -63.68 -54.81 29.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.3 mt -52.87 -34.72 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.886 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -60.29 -56.26 23.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -64.38 -26.58 68.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 62' ' ' MET . 16.2 tp60 -61.5 -53.52 55.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -57.44 -43.14 83.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.505 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -61.07 -22.42 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.619 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -83.25 -39.17 21.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.83 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 35.3 mtt -53.45 -47.26 69.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.533 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.666 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.5 p90 . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.749 0.309 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' H ' ' A' ' 20' ' ' GLN . 14.8 t -99.88 168.73 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.057 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -61.75 -27.14 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.289 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -75.03 -42.02 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.324 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' H ' HG23 ' A' ' 17' ' ' THR . 52.8 mt-30 -59.97 -57.58 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -61.45 -23.75 66.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.485 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -65.32 -51.7 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.572 -179.718 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.667 ' HB2' HD21 ' A' ' 46' ' ' LEU . 18.9 mm-40 -74.37 -34.69 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.81 -32.54 73.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.805 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.1 pt-20 -80.51 -35.95 33.92 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.388 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 72.8 mmtt -58.76 -37.39 76.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.684 0.278 . . . . 0.0 111.184 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -84.44 -21.85 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -65.67 -22.76 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.58 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.42 -58.58 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.22 0.534 . . . . 0.0 111.156 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -77.28 -55.55 5.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.188 -179.304 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 48.08 25.56 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.71 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.434 ' O ' ' HB3' ' A' ' 33' ' ' TYR . 4.6 mmt -79.37 14.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.599 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 32' ' ' MET . 76.8 t80 72.24 86.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.96 -179.96 1.33 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.741 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.9 t -106.88 175.83 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -58.58 -32.53 69.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.357 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -57.37 -41.97 81.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.716 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -75.35 -50.46 15.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.05 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -51.76 -31.55 27.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -72.06 -59.13 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.666 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.4 -43.56 83.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.756 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 m -69.72 -21.64 24.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.709 0.29 . . . . 0.0 111.275 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -81.93 -26.59 33.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 110.786 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -73.61 -35.16 65.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.72 -26.03 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.975 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 23' ' ' GLU . 50.6 mt -94.57 -4.18 48.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.825 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 59.49 32.85 21.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.972 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 22.3 mt -117.1 179.74 3.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.78 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 51' ' ' ARG . 21.6 m -97.91 149.76 22.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.63 -34.02 61.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.936 0.398 . . . . 0.0 111.083 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.413 ' H ' HG22 ' A' ' 49' ' ' THR . 33.1 mmt180 -79.75 -53.41 6.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.339 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -44.93 -51.14 10.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.999 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.56 -40.16 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.686 0.279 . . . . 0.0 111.603 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -64.95 -62.29 1.65 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 111.041 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.0 mt -53.3 -31.7 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.394 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -60.88 -46.15 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -74.76 -33.06 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.986 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -54.6 -58.02 9.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.929 0.395 . . . . 0.0 110.943 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -64.88 -42.13 95.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.563 ' HD3' ' HD3' ' A' ' 63' ' ' LYS . 6.1 tpp180 -52.16 -24.74 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.188 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -82.75 -50.17 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.027 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.5 mtp -58.7 -45.19 90.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.761 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.563 ' HD3' ' HD3' ' A' ' 60' ' ' ARG . 22.3 ptmt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.158 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.5 p90 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.924 0.392 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.615 HG23 ' H ' ' A' ' 20' ' ' GLN . 15.1 t -100.08 179.14 4.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -74.07 -26.52 60.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.28 -38.09 51.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.592 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.615 ' H ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -64.51 -38.7 91.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.997 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -82.08 -23.21 35.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -64.01 -46.33 85.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.584 ' HB2' HD21 ' A' ' 46' ' ' LEU . 20.0 mm-40 -73.47 -41.23 63.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.349 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.38 -32.41 74.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.753 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.4 pt-20 -80.95 -33.45 33.96 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.224 -0.191 . . . . 0.0 111.374 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 37.4 mmtm -57.16 -42.07 80.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.297 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -84.56 -33.45 23.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -51.86 -22.5 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.084 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.13 -60.23 3.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 111.418 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -104.96 -52.45 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.666 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 36.39 43.07 0.22 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.751 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -59.02 -38.74 79.97 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.205 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -168.05 141.05 3.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -107.36 117.72 34.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -113.88 171.88 7.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.699 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -56.56 -28.07 59.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.185 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.6 -54.65 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -66.68 -55.05 16.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.28 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -49.15 -34.51 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.885 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -73.0 -59.43 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.43 -42.93 71.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.558 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 m -72.06 -20.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.321 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.35 -27.89 34.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.386 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -76.14 -32.61 59.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.1 m -87.74 -30.63 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.394 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.584 HD21 ' HB2' ' A' ' 23' ' ' GLU . 81.5 mt -93.49 -3.21 53.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.4 t30 57.37 37.75 28.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.013 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.1 mt -114.13 178.55 4.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.072 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.455 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 22.7 m -85.56 152.02 23.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.676 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.01 -36.22 70.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -85.52 -31.52 22.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.409 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.455 ' HB2' ' HB ' ' A' ' 49' ' ' THR . 8.7 tt0 -52.7 -30.95 35.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.384 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.01 -61.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.683 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -62.22 -34.79 77.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.653 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.61 -30.88 50.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.83 0.348 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.16 -51.44 61.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -67.7 -38.58 83.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -58.33 -49.43 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -55.42 -46.05 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.977 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -62.22 -21.95 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -83.72 -37.1 23.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.1 mtm -55.63 -46.53 77.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.255 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.561 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.9 p90 . . . . . 0 N--CA 1.447 -0.622 0 CA-C-O 120.885 0.374 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.502 ' H ' ' HG2' ' A' ' 20' ' ' GLN . 25.1 p -95.52 169.12 10.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.15 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -74.6 -19.9 60.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.58 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -83.28 -47.77 11.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.092 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.502 ' HG2' ' H ' ' A' ' 17' ' ' THR . 18.3 pt20 -62.53 -33.52 75.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.166 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 17' ' ' THR . 12.3 t -82.3 -25.28 34.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.096 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -62.32 -39.49 93.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.4 mm-40 -82.99 -46.28 13.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.339 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.09 -26.11 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.549 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 11.2 pt-20 -80.43 -33.73 36.68 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 71.2 mmtt -55.67 -40.39 72.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.932 0.396 . . . . 0.0 110.512 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -84.95 -35.35 22.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.526 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -50.16 -21.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.332 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.49 -59.78 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.245 0.545 . . . . 0.0 111.007 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -105.18 -55.69 2.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.037 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 39.2 22.91 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.918 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.4 mtp -92.18 -13.43 30.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.176 0.512 . . . . 0.0 110.354 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -152.78 132.78 13.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.546 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.521 HD23 ' HE ' ' A' ' 39' ' ' ARG . 10.8 tp -141.61 143.46 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.808 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 38' ' ' ARG . 9.9 t -120.28 171.64 8.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -63.15 -35.43 80.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.73 -39.25 90.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.344 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' H ' HG23 ' A' ' 35' ' ' THR . 22.6 tpp180 -72.16 -48.92 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.745 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HE ' HD23 ' A' ' 34' ' ' LEU . 94.5 mtt180 -54.69 -31.07 57.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.547 ' HA ' ' HG3' ' A' ' 50' ' ' GLU . 69.2 t80 -74.37 -59.12 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.928 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.82 -41.39 67.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.603 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 m -74.02 -22.78 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.282 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.34 -28.73 31.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HA ' ' HE ' ' A' ' 44' ' ' ARG . 2.7 mmp_? -76.47 -29.86 57.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 m -87.72 -33.26 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.429 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 23' ' ' GLU . 74.6 mt -89.33 1.13 56.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.6 m120 58.47 32.19 21.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.1 mt -114.76 179.07 4.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.44 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 15.7 m -95.74 147.53 23.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.656 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.547 ' HG3' ' HA ' ' A' ' 40' ' ' TYR . 2.4 mp0 -56.51 -36.34 69.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.485 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 8.9 mpt_? -73.94 -41.18 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.068 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.44 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 18.7 mm-40 -57.03 -23.82 49.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 49' ' ' THR . 70.4 t -69.24 -62.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.554 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 51' ' ' ARG . 50.3 pttt -62.0 -46.2 90.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.689 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.9 mt -55.89 -35.03 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.152 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -60.79 -53.53 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.542 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.92 -32.31 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.477 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 62' ' ' MET . 68.8 mt-30 -58.04 -50.93 71.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.061 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -54.14 -43.64 70.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.05 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 71.4 mtt180 -63.11 -23.14 67.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.187 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -84.41 -42.79 15.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.864 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 17.4 ptm -83.79 -12.31 55.85 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.771 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.0 p90 . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 20' ' ' GLN . 10.2 t -100.58 167.37 10.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 3.8 mptp? -66.42 -28.66 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.759 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -67.97 -44.9 75.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.657 ' H ' HG23 ' A' ' 17' ' ' THR . 67.4 mt-30 -55.8 -55.5 31.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.174 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -68.31 -22.22 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -49.48 77.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.453 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.605 ' HB2' HD21 ' A' ' 46' ' ' LEU . 13.9 mm-40 -70.47 -40.02 73.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.838 0.351 . . . . 0.0 111.496 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.82 -32.46 73.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.914 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.41 -39.33 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.625 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -57.17 -37.11 71.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.499 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -83.32 -34.99 25.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.744 0.306 . . . . 0.0 111.361 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -52.53 -22.8 5.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.543 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 mt -75.73 -62.68 1.5 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.135 0.493 . . . . 0.0 111.938 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -105.47 -56.17 2.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.806 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -77.98 64.78 3.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.665 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.4 mtt -61.76 -28.62 69.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -129.85 113.15 14.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.285 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.9 mt -89.11 175.99 7.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.174 0.511 . . . . 0.0 111.809 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 37' ' ' ASP . 12.4 t -120.08 -176.55 3.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.534 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -58.95 -38.35 78.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 110.578 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.412 ' H ' HG23 ' A' ' 35' ' ' THR . 11.5 m-20 -65.54 -57.18 8.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 42' ' ' VAL . 18.4 mmt180 -56.92 -49.05 76.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -52.09 -31.93 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.41 -58.62 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.445 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -57.56 -45.81 84.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.581 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 38' ' ' ARG . 13.0 m -66.09 -23.54 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.72 0.295 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.38 -25.0 34.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -77.5 -32.82 54.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -87.77 -25.89 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.305 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 20' ' ' GLN . 46.6 mt -95.55 -5.28 43.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.39 33.62 22.46 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.802 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.444 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.2 mt -115.47 179.11 4.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.488 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 44.6 m -91.85 145.61 24.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.36 -55.47 21.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 70.1 mtm180 -62.14 -34.6 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.958 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.488 ' HB2' ' HB ' ' A' ' 49' ' ' THR . 53.1 tt0 -58.0 -31.78 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.2 t -59.9 -60.49 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.334 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 51' ' ' ARG . 61.4 pttt -62.73 -38.16 89.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.306 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.3 mt -67.63 -27.94 40.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -66.95 -51.41 55.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.76 -39.4 87.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.1 -54.08 50.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.69 -47.21 73.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -57.07 -25.49 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -82.97 -35.32 26.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.1 mtp -57.47 -49.88 74.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 pttt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 120.852 0.358 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.782 HG23 ' H ' ' A' ' 20' ' ' GLN . 7.1 t -100.6 167.36 10.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.757 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -70.04 -31.54 69.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 -179.71 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -69.34 -49.64 53.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.382 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.782 ' H ' HG23 ' A' ' 17' ' ' THR . 14.8 mm-40 -54.74 -56.27 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.237 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -63.4 -24.46 67.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.692 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -41.96 99.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.461 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.614 ' HB2' HD21 ' A' ' 46' ' ' LEU . 18.6 mm-40 -83.27 -46.82 12.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.567 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.27 -34.26 70.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.845 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.72 -32.92 73.06 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.157 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.29 -45.71 92.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -83.94 -27.27 28.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.353 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -53.67 -22.01 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -62.48 -59.13 5.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.47 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -104.81 -53.76 2.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.883 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 37.58 27.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.778 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.7 mmm -81.11 -22.71 38.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.789 0.328 . . . . 0.0 110.581 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.7 t80 175.61 140.21 0.06 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.379 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.1 mt -132.39 174.53 10.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 111.16 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 t -117.23 163.65 15.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.942 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -57.46 -27.09 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.93 -45.64 88.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -77.68 -51.43 10.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' NH2' ' HD3' ' A' ' 51' ' ' ARG . 60.9 mtp180 -51.88 -29.84 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.3 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.441 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 39.9 t80 -77.12 -56.86 4.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.64 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.53 -42.55 83.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.592 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 m -70.55 -25.16 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.25 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.16 -27.85 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -75.63 -30.65 59.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.164 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 m -88.19 -30.42 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.452 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 23' ' ' GLU . 95.3 mt -91.68 2.58 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.011 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.3 t30 59.17 30.79 20.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.221 0.534 . . . . 0.0 110.711 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 27.8 mt -113.51 179.59 3.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.745 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -106.42 149.28 27.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 40' ' ' TYR . 37.9 mt-10 -50.81 -32.22 19.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.869 0.366 . . . . 0.0 111.342 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HD3' ' NH2' ' A' ' 39' ' ' ARG . 31.1 mmt180 -84.99 -51.98 6.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.235 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -47.46 -45.91 26.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.343 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.1 -42.49 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -66.96 -52.72 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.616 0.246 . . . . 0.0 110.879 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.83 -28.16 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.083 0.468 . . . . 0.0 110.513 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -58.17 -53.96 52.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -68.34 -39.37 81.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -52.27 -53.74 40.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -55.69 -46.38 77.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -54.45 -24.17 19.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.314 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 2.0 mmp_? -82.66 -45.73 14.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.537 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 36.4 mtp -50.6 -52.3 40.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.016 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.491 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.192 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.4 p90 . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 121.053 0.454 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.464 ' O ' HG22 ' A' ' 21' ' ' THR . 10.3 t -100.14 174.82 5.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.72 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -63.07 -29.63 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -70.96 -50.14 37.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.573 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.442 ' H ' HG23 ' A' ' 17' ' ' THR . 15.9 mm100 -57.65 -51.62 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.309 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 17' ' ' THR . 8.8 t -66.14 -24.71 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.676 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -61.91 -51.36 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.143 -179.574 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.57 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.5 mm-40 -67.04 -43.16 83.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.507 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.57 -40.32 96.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.793 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.3 pt-20 -74.38 -27.37 60.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.673 0.273 . . . . 0.0 110.692 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -59.32 -40.26 85.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.833 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.54 -20.02 32.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -64.92 -23.14 67.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.972 0.415 . . . . 0.0 110.817 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.64 -60.98 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.593 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -54.23 11.92 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.755 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 61.49 15.18 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.11 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 mmm -78.13 7.75 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.1 t80 70.48 105.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 38' ' ' ARG . 2.6 pt? -61.59 -178.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.618 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 t -119.96 178.87 4.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.13 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -56.16 -39.07 71.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.947 0.403 . . . . 0.0 110.597 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.61 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.589 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 24.4 mmt180 -60.97 -47.86 84.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.673 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -51.49 -30.49 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -77.34 -55.33 5.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.106 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 12.0 pt-20 -61.92 -44.88 95.86 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 38' ' ' ARG . 5.7 m -67.73 -28.6 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.592 0.234 . . . . 0.0 111.524 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -78.75 -27.35 44.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -72.19 -31.44 65.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.9 m -88.15 -26.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.034 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 23' ' ' GLU . 91.4 mt -92.86 -8.57 43.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.037 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 61.18 34.22 18.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.704 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.6 mt -119.81 179.2 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.714 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.495 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 22.3 m -90.56 149.06 22.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.714 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -55.14 -35.02 64.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.218 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' H ' HG22 ' A' ' 49' ' ' THR . 98.6 mtt180 -76.58 -33.64 58.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.363 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 28.8 mm-40 -62.4 -28.84 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.437 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.0 t -72.71 -53.41 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.462 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -62.93 -43.46 98.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.461 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.98 -27.94 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.147 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -65.14 -56.7 11.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.99 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -63.08 -35.13 79.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.165 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 62' ' ' MET . 34.8 tt0 -59.68 -55.57 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.812 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -51.36 -45.47 62.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.252 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -60.0 -25.57 65.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -83.89 -60.39 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.445 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 8.2 ptp -59.5 -29.63 67.99 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.367 . . . . 0.0 110.52 -179.724 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 20' ' ' GLN . 8.9 t -86.89 166.32 15.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.38 -34.0 68.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.458 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -69.3 -50.87 42.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.289 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.607 ' H ' HG23 ' A' ' 17' ' ' THR . 95.6 mt-30 -55.32 -45.41 76.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.321 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -74.28 -23.44 59.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.347 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -37.82 83.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.602 ' HB2' HD21 ' A' ' 46' ' ' LEU . 17.9 mm-40 -81.71 -46.35 14.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.981 0.419 . . . . 0.0 111.157 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 20' ' ' GLN . 11.0 mp -61.46 -30.94 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.81 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.92 -30.17 62.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.629 0.252 . . . . 0.0 110.891 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -61.07 -44.53 97.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.641 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -83.74 -31.2 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -50.2 -22.23 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.97 -62.11 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 0.0 111.266 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -106.35 -53.41 2.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.244 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 p30 37.5 29.12 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.482 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 90.8 mmm -77.03 -26.49 53.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -171.81 143.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.564 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.0 mt -134.42 173.52 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.262 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 38' ' ' ARG . 9.6 t -120.34 171.25 8.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.128 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -63.05 -36.98 85.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.501 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -59.47 -36.84 76.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' O ' HG22 ' A' ' 42' ' ' VAL . 16.4 mmt180 -68.97 -52.93 23.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.189 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -51.98 -33.59 38.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -74.38 -58.92 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.06 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 45' ' ' VAL . 12.1 pt-20 -54.51 -43.39 71.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.678 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 38' ' ' ARG . 11.4 m -71.49 -22.59 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.727 0.298 . . . . 0.0 111.112 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.04 -26.85 33.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.906 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -80.01 -30.17 39.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.107 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 41' ' ' GLU . 11.1 m -88.04 -33.3 6.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.279 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.602 HD21 ' HB2' ' A' ' 23' ' ' GLU . 95.2 mt -89.0 1.96 54.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.3 t30 59.44 31.96 21.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.049 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.449 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.2 mt -116.78 179.6 3.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.556 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 10.4 m -101.04 157.36 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.555 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.03 -33.65 57.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -83.33 -28.61 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.556 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 16.0 mm100 -66.83 -37.45 84.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.7 -39.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.03 -48.63 73.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.6 -27.33 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.703 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -60.77 -57.29 13.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -65.42 -33.81 76.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.601 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 62' ' ' MET . 48.8 tp60 -59.35 -46.78 87.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.73 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -58.67 -45.52 89.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.773 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 40.9 mmt180 -60.63 -21.93 63.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.649 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -81.81 -40.82 21.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 33.7 mtt -54.87 -44.4 74.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.3 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 56.9 pttt . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.802 0.334 . . . . 0.0 110.819 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.2 p90 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.107 0.48 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 20' ' ' GLN . 8.9 t -99.8 172.52 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.597 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -61.97 -32.22 72.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.652 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -72.05 -52.71 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.496 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.545 ' H ' HG23 ' A' ' 17' ' ' THR . 99.2 mt-30 -55.88 -40.65 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.363 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 17' ' ' THR . 12.2 t -78.18 -23.79 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.31 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -58.86 -43.52 90.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.89 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HB2' HD11 ' A' ' 46' ' ' LEU . 24.0 mm-40 -79.49 -42.79 24.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.37 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.61 -28.73 70.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.649 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 12.0 pt-20 -80.8 -42.53 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.39 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 22' ' ' LEU . 28.7 mtpp -50.93 -38.44 50.24 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.641 0.257 . . . . 0.0 111.213 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.55 -36.5 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.468 ' C ' HD22 ' A' ' 31' ' ' ASN . 80.1 t80 -51.94 -22.01 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.789 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 25' ' ' GLU . 18.6 mt -61.57 -61.81 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.09 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.524 ' HB3' ' HG3' ' A' ' 32' ' ' MET . 0.1 OUTLIER -105.69 -47.58 3.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.468 HD22 ' C ' ' A' ' 28' ' ' PHE . 20.0 m-80 53.5 34.27 17.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.071 -177.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.524 ' HG3' ' HB3' ' A' ' 30' ' ' PHE . 74.3 mtp -42.31 -37.19 1.45 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.759 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 32' ' ' MET . 75.7 t80 178.08 143.51 0.11 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.741 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.24 115.03 28.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.4 t -117.72 163.84 15.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.247 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.27 -40.68 82.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.625 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -63.47 -26.6 68.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.975 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' H ' HG23 ' A' ' 35' ' ' THR . 31.7 tpt180 -82.45 -52.14 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -58.25 -28.3 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.898 0.38 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -74.79 -56.93 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.467 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.84 -41.46 77.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.449 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 38' ' ' ARG . 14.2 m -72.19 -22.54 21.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.079 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.15 -28.05 32.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.494 ' HA ' ' NE ' ' A' ' 44' ' ' ARG . 4.8 mmp_? -74.66 -31.82 62.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.97 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.3 m -88.11 -29.55 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.091 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 23' ' ' GLU . 82.7 mt -93.67 -3.09 53.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.27 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 57.73 34.28 24.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.803 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 28.5 mt -114.43 179.32 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.448 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 12.3 m -92.04 153.84 19.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -61.95 -33.74 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.472 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 1.5 mmp_? -82.53 -25.97 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.53 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 27.0 mt-30 -69.5 -41.67 75.78 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.0 m -63.71 -42.86 97.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 19.7 ptmt -69.57 -51.63 33.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.161 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.414 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 96.1 mt -59.35 -26.89 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 110.639 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.27 -51.44 66.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.641 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -65.05 -39.63 93.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.793 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -54.56 -61.09 2.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.93 -44.33 97.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.797 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -57.57 -21.98 42.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.743 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -83.32 -40.87 18.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.8 mtm -56.0 -46.3 78.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.731 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.2 pttt . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 0.0 110.793 -179.807 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 p90 . . . . . 0 N--CA 1.447 -0.607 0 CA-C-O 120.794 0.33 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.738 HG23 ' H ' ' A' ' 20' ' ' GLN . 6.3 t -100.02 161.74 13.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 4.1 mptp? -62.32 -26.09 68.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.582 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.99 -56.58 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.422 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.738 ' H ' HG23 ' A' ' 17' ' ' THR . 13.9 mm100 -49.84 -48.93 50.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.954 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -72.6 -24.24 61.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -42.66 70.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.647 0.261 . . . . 0.0 111.631 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.579 ' HB2' HD21 ' A' ' 46' ' ' LEU . 9.3 mm-40 -81.77 -41.39 21.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.15 -31.76 72.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.91 -26.29 63.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.045 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -70.69 -42.73 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.239 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.04 -26.85 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.202 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -53.42 -22.03 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.43 -59.59 5.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.4 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.413 ' O ' ' HG2' ' A' ' 32' ' ' MET . 3.5 t80 -105.26 -52.98 2.74 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.164 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 37.65 27.41 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.656 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 20.1 mmt -88.92 -15.35 34.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -177.26 144.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.437 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD11 ' HG2' ' A' ' 38' ' ' ARG . 10.1 tp -143.8 159.0 43.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.993 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.8 t -104.59 158.22 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.24 -37.35 77.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.01 -35.68 71.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.216 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.526 ' HG2' HD11 ' A' ' 34' ' ' LEU . 19.3 tpt180 -78.9 -44.34 22.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.801 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' CZ ' ' HD3' ' A' ' 54' ' ' LYS . 75.6 mtt180 -56.93 -28.76 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.535 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.06 -57.38 4.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.216 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.52 -44.13 89.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.634 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 38' ' ' ARG . 13.0 m -67.57 -23.72 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 111.217 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.26 -26.34 33.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -76.16 -31.2 58.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.073 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 m -87.88 -33.91 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.434 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.579 HD21 ' HB2' ' A' ' 23' ' ' GLU . 77.0 mt -87.63 -1.27 57.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.988 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 m120 59.17 32.43 22.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.446 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 19.5 mt -115.62 179.51 3.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.569 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.527 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 17.6 m -101.24 150.27 23.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.537 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.43 -47.56 63.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.53 ' HD2' ' HZ1' ' A' ' 54' ' ' LYS . 15.0 mmm180 -64.51 -40.28 95.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.201 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.527 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 83.0 mm-40 -54.63 -35.7 63.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.335 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.41 -55.67 22.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.338 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HZ1' ' HD2' ' A' ' 51' ' ' ARG . 36.2 mtmm -62.09 -53.72 51.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.339 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.7 mt -55.14 -34.31 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.516 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 52.6 t90 -56.63 -57.67 11.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 110.639 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -68.22 -27.21 66.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.001 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -57.28 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.74 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.481 ' HA ' ' HG3' ' A' ' 62' ' ' MET . 48.8 m-80 -56.68 -43.39 80.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -53.31 -31.17 42.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.245 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -83.15 -33.15 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.497 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.481 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 37.4 mtp -55.4 -45.58 76.66 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttm . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.762 0.315 . . . . 0.0 110.776 -179.509 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.994 0.426 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.672 HG23 ' H ' ' A' ' 20' ' ' GLN . 13.9 t -101.44 -176.79 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -81.98 -30.68 31.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -70.95 -43.74 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.672 ' H ' HG23 ' A' ' 17' ' ' THR . 76.4 mm-40 -59.33 -57.15 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -62.09 -23.75 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.469 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -61.81 -44.08 97.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.625 ' HB2' HD21 ' A' ' 46' ' ' LEU . 16.9 mm-40 -77.58 -40.67 41.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.918 0.39 . . . . 0.0 111.371 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.38 -32.75 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.461 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.95 -29.36 43.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.991 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 29.9 mmmt -57.13 -42.89 81.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.756 0.313 . . . . 0.0 110.5 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -82.77 -32.86 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.511 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -51.38 -22.05 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.123 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.88 -59.27 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.151 0.5 . . . . 0.0 111.638 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -103.94 -54.46 2.55 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.445 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 36.08 32.89 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.189 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.4 mmt -82.48 -21.27 35.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 111.081 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -171.06 117.89 0.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.667 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.482 HD23 ' HE ' ' A' ' 39' ' ' ARG . 13.6 tp -104.06 145.93 29.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t -120.15 160.45 22.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.182 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -58.16 -36.89 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -61.6 -32.61 72.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.447 ' O ' HG13 ' A' ' 42' ' ' VAL . 22.0 tpt180 -80.96 -45.73 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.804 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.482 ' HE ' HD23 ' A' ' 34' ' ' LEU . 81.2 mtt180 -56.77 -29.6 62.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.667 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -72.95 -59.01 2.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.746 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -56.25 -43.66 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.498 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 38' ' ' ARG . 10.4 m -70.39 -21.4 23.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.739 0.304 . . . . 0.0 111.208 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.03 -29.05 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.753 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -74.35 -30.52 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.943 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.6 m -88.07 -31.23 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.591 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 23' ' ' GLU . 86.3 mt -90.32 0.37 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.259 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 59.87 29.99 19.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.068 0.461 . . . . 0.0 110.658 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.7 mt -114.66 179.54 3.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.711 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 53' ' ' VAL . 28.2 m -104.2 148.55 26.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.62 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -48.42 -35.85 13.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.051 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -77.28 -51.28 11.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -50.19 -29.27 8.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.71 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 49' ' ' THR . 98.3 t -71.28 -61.6 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.391 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.401 ' NZ ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -59.28 -50.65 73.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.273 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.7 mt -51.6 -38.91 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.064 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -59.35 -47.87 83.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.405 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 64.2 m-85 -66.88 -30.99 71.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 62' ' ' MET . 26.6 mt-30 -65.25 -62.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.646 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -55.47 -52.65 62.93 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -54.99 -25.88 32.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 111.224 -179.473 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -81.51 -37.36 27.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.343 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 30.3 mtt -56.18 -43.15 78.14 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 22.7 pttm . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 120.716 0.293 . . . . 0.0 110.954 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.4 p90 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 19' ' ' TYR . 11.8 t -97.79 169.98 9.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -59.99 -23.71 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.441 ' H ' HG23 ' A' ' 17' ' ' THR . 1.7 m-85 -74.24 -52.27 12.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.421 ' H ' HG23 ' A' ' 17' ' ' THR . 54.5 mt-30 -53.12 -48.98 67.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -68.92 -26.42 65.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.303 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -39.98 94.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 111.087 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HB2' HD21 ' A' ' 46' ' ' LEU . 29.8 mm-40 -77.16 -47.97 18.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.672 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.76 -31.88 72.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.736 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.74 -37.25 62.56 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.115 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -55.29 -41.63 72.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.192 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -84.63 -30.74 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.774 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.639 ' HA ' HD22 ' A' ' 31' ' ' ASN . 72.1 t80 -55.87 -21.01 17.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.153 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.99 -56.8 11.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.319 0.581 . . . . 0.0 111.405 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.497 ' C ' ' H ' ' A' ' 32' ' ' MET . 10.9 t80 -83.38 -60.88 2.0 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.106 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.639 HD22 ' HA ' ' A' ' 28' ' ' PHE . 93.8 m-20 50.22 4.56 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.686 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.497 ' H ' ' C ' ' A' ' 30' ' ' PHE . 63.3 mmm -89.18 -7.16 56.19 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.057 0.455 . . . . 0.0 110.323 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -176.44 148.95 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.224 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.1 tp -138.94 147.66 42.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.012 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 t -117.94 159.74 22.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 111.62 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' HA ' ' HE ' ' A' ' 39' ' ' ARG . 47.3 ttp180 -61.86 -38.02 86.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.312 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.26 -23.81 66.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -83.45 -56.26 3.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.756 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 36' ' ' ARG . 82.2 mtm180 -52.72 -31.24 36.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -73.01 -57.15 4.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.77 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.93 -42.03 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.655 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -71.23 -21.81 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.338 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.13 -24.84 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.981 0.419 . . . . 0.0 111.103 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -82.07 -30.84 31.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 m -87.96 -30.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.365 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 23' ' ' GLU . 97.3 mt -93.43 0.31 56.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.98 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 58.36 34.94 24.46 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.959 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.471 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 24.0 mt -117.35 179.88 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.507 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 27.2 m -100.71 153.44 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.592 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -52.68 -34.48 52.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -80.12 -40.52 27.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.507 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 50.2 mt-30 -50.72 -38.05 45.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.257 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.4 t -53.04 -60.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.251 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -63.05 -38.45 91.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.71 -29.89 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.292 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -65.83 -57.3 8.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -59.63 -35.69 74.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.798 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.54 -48.2 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.494 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.499 ' HA ' ' HG3' ' A' ' 62' ' ' MET . 88.8 m-20 -59.36 -42.95 92.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.0 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -57.0 -26.05 59.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.776 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -83.49 -35.11 25.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.437 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.499 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 33.6 mtt -54.26 -47.3 72.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.038 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 N--CA 1.446 -0.635 0 CA-C-O 120.758 0.314 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.606 HG23 ' H ' ' A' ' 20' ' ' GLN . 14.0 t -87.87 -173.6 4.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.448 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -79.61 -34.1 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.7 -43.42 59.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.681 0.276 . . . . 0.0 111.503 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.637 ' HA ' HD11 ' A' ' 46' ' ' LEU . 49.5 mt-30 -54.91 -56.11 23.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 t -66.32 -22.16 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.468 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -42.9 99.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.413 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG3' HD13 ' A' ' 46' ' ' LEU . 15.4 mm-40 -78.66 -42.58 28.25 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 111.258 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 20' ' ' GLN . 11.1 mp -59.87 -43.57 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.457 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.68 -32.38 74.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.391 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -56.83 -52.36 65.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.62 -22.65 37.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.43 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 83.7 t80 -54.92 -21.3 11.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.382 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.73 -56.69 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 111.358 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.453 ' C ' ' H ' ' A' ' 32' ' ' MET . 14.9 t80 -81.23 -61.38 1.96 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.258 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.575 ' HB3' HH21 ' A' ' 61' ' ' ARG . 10.3 m120 48.11 9.4 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.644 -178.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.453 ' H ' ' C ' ' A' ' 30' ' ' PHE . 56.4 mmm -87.74 -5.86 58.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.973 0.416 . . . . 0.0 110.385 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.2 t80 178.82 153.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.098 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 tp -143.63 148.83 36.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.424 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.8 t -113.96 157.67 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.328 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG3' HH21 ' A' ' 39' ' ' ARG . 56.2 ttp180 -62.45 -37.97 87.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.512 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.76 -24.63 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.407 ' H ' HG23 ' A' ' 35' ' ' THR . 32.4 tpt180 -81.3 -55.65 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.424 HH21 ' HG3' ' A' ' 36' ' ' ARG . 33.1 mtm180 -50.8 -32.47 20.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -71.69 -59.15 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.924 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.31 -42.57 86.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.821 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 12.8 m -69.77 -22.07 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.5 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.96 -27.28 36.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.965 0.412 . . . . 0.0 110.743 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -75.72 -31.97 59.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.041 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.2 m -88.17 -31.68 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.473 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.637 HD11 ' HA ' ' A' ' 20' ' ' GLN . 1.8 tp -94.38 3.13 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.323 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 55.95 36.39 27.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.377 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.552 ' HG ' ' HB3' ' A' ' 46' ' ' LEU . 30.0 mt -114.3 179.41 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.864 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.504 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 16.9 m -97.28 151.93 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.739 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -53.27 -39.3 63.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.342 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -73.29 -42.14 62.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.394 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.504 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 27.6 mt-30 -55.44 -23.64 26.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.674 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' A' ' 39' ' ' ARG . 44.5 t -71.17 -62.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.743 0.306 . . . . 0.0 111.45 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -61.26 -43.03 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.729 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.81 -39.31 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.394 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.448 ' HE1' ' NH2' ' A' ' 60' ' ' ARG . 66.6 t-105 -56.39 -57.4 12.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.135 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -61.83 -30.83 71.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.42 -49.91 74.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -57.55 -44.72 85.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.448 ' NH2' ' HE1' ' A' ' 56' ' ' TRP . 70.1 mtt180 -55.92 -26.54 48.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.575 HH21 ' HB3' ' A' ' 31' ' ' ASN . 38.6 mmt180 -82.68 -31.94 28.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.997 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.7 mtp -65.43 -41.07 93.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.713 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 21.9 pttm . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 120.778 0.323 . . . . 0.0 110.952 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 p90 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.893 0.378 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.785 HG23 ' H ' ' A' ' 20' ' ' GLN . 9.8 t -100.22 162.56 12.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -59.72 -33.02 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.815 -179.219 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -73.47 -51.45 17.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 0.0 111.755 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.785 ' H ' HG23 ' A' ' 17' ' ' THR . 13.4 pt20 -57.92 -36.61 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.555 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -80.22 -24.05 40.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -61.79 -37.62 85.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.005 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HB2' HD21 ' A' ' 46' ' ' LEU . 19.0 mm-40 -82.76 -46.59 12.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.339 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.95 -29.73 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.456 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.7 pt-20 -75.7 -33.45 60.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.639 0.257 . . . . 0.0 110.702 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -57.46 -40.6 78.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -86.6 -30.2 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.58 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -51.07 -22.34 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.326 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.95 -58.6 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 0.0 111.18 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -105.08 -55.9 2.25 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.195 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 38.11 28.31 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.662 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.6 mmt -81.36 -20.93 39.53 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.78 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -168.33 149.56 4.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.403 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HG2' ' A' ' 39' ' ' ARG . 12.0 tp -141.84 147.81 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.865 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -118.59 168.15 10.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -55.74 -30.51 61.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.323 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.49 -49.69 76.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.789 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.42 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 22.8 mmt180 -73.59 -50.4 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.416 ' HG2' HD23 ' A' ' 34' ' ' LEU . 52.3 mtp180 -47.89 -37.81 14.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.424 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -71.77 -59.04 2.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.113 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 10.9 pt-20 -55.73 -43.75 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 38' ' ' ARG . 6.3 m -71.59 -20.94 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.373 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.03 -28.8 32.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.986 0.422 . . . . 0.0 111.038 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -80.03 -28.47 39.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.418 HG23 ' HG ' ' A' ' 46' ' ' LEU . 14.6 m -88.2 -32.18 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.241 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 23' ' ' GLU . 94.5 mt -93.52 2.26 56.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.019 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 58.0 33.69 23.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.637 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.6 mt -114.35 179.11 4.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.833 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 53' ' ' VAL . 23.5 m -93.68 149.43 21.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -54.87 -35.29 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.314 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -81.11 -40.47 24.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.321 -179.646 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -57.04 -21.52 31.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.448 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 49' ' ' THR . 92.1 t -72.21 -59.81 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.693 0.283 . . . . 0.0 111.209 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -61.33 -37.3 82.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.058 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.428 HG22 ' ND2' ' A' ' 59' ' ' ASN . 80.8 mt -68.35 -29.25 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.961 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -62.96 -46.57 87.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -71.12 -40.38 71.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -57.85 -54.5 46.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.121 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.494 ' HA ' ' HE2' ' A' ' 62' ' ' MET . 95.1 m-20 -53.66 -46.9 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -56.44 -26.35 53.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.272 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -84.04 -45.22 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.658 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.494 ' HE2' ' HA ' ' A' ' 59' ' ' ASN . 40.2 mtm -51.53 -42.36 61.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.074 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.631 0.253 . . . . 0.0 111.09 -179.605 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.6 p90 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-O 120.728 0.299 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.4 p -79.82 164.89 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.882 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.11 -17.89 64.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.545 178.795 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.21 -39.99 20.23 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -64.79 -37.42 87.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.274 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -82.31 -23.72 35.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.403 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -65.51 -42.22 92.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.233 -179.827 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.58 ' HB2' HD21 ' A' ' 46' ' ' LEU . 23.8 mm-40 -83.32 -46.12 12.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.694 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 28' ' ' PHE . 9.0 mp -61.35 -28.26 69.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 10.8 pt-20 -72.33 -34.71 68.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.772 0.32 . . . . 0.0 111.136 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.52 -39.55 94.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -86.17 -28.3 24.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 74.9 t80 -52.03 -22.35 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.71 -61.92 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.295 0.569 . . . . 0.0 110.847 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' O ' ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -105.64 -54.62 2.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.369 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 40.33 22.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.594 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 85.2 mmm -89.86 -13.83 35.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 110.828 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -173.42 148.91 1.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.566 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.4 mt -141.29 172.77 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.105 0.478 . . . . 0.0 111.554 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 38' ' ' ARG . 1.7 t -120.87 160.87 22.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -54.88 -36.74 65.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.06 -51.6 68.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.29 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.446 ' H ' HG23 ' A' ' 35' ' ' THR . 23.5 mmt180 -63.03 -54.69 34.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 39' ' ' ARG . 47.8 mtp180 -48.17 -35.67 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.384 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -73.93 -58.97 2.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 45' ' ' VAL . 12.6 pt-20 -55.63 -42.35 74.83 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 38' ' ' ARG . 5.3 m -73.21 -22.31 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.536 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.63 32.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.902 0.382 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -79.33 -28.26 42.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 41' ' ' GLU . 18.4 m -87.93 -34.17 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.362 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 23' ' ' GLU . 94.8 mt -90.66 1.75 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 60.02 31.37 20.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.7 mt -111.14 179.0 4.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.785 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.556 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 19.7 m -102.05 146.88 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.755 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -50.65 -34.74 27.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.282 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.53 -35.31 30.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.33 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.556 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 26.2 mm-40 -61.98 -22.01 65.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.743 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.54 -50.26 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 111.549 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -67.73 -30.56 70.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.607 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.7 mt -79.33 -32.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.631 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 9.0 t90 -61.63 -57.32 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.951 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -65.59 -35.82 81.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -57.73 -49.35 76.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.73 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -53.97 -46.58 71.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -57.57 -27.22 62.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -82.92 -41.6 18.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.495 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.9 mtm -54.08 -46.0 71.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.623 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.735 0.302 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.2 p90 . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.955 0.407 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 20' ' ' GLN . 6.2 t -98.78 168.87 9.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 3.8 mptp? -62.13 -27.18 68.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -71.66 -47.69 52.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.243 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.556 ' H ' HG23 ' A' ' 17' ' ' THR . 19.4 mm-40 -54.04 -56.95 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -64.83 -23.54 67.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.811 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -41.78 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.402 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.487 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.7 mm-40 -82.78 -42.48 17.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.501 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.24 -34.45 76.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.737 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.17 -32.77 70.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.662 0.268 . . . . 0.0 111.231 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -61.48 -42.36 98.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -86.62 -26.64 24.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.995 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -53.42 -21.74 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.134 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.2 mt -62.32 -56.68 16.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.186 0.517 . . . . 0.0 111.283 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 32' ' ' MET . 19.6 t80 -105.2 -55.84 2.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.984 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 34.71 28.17 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.821 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -98.84 -9.11 24.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.439 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.5 t80 175.87 128.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.398 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.7 mt -128.11 176.06 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.958 0.409 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.448 HG23 ' H ' ' A' ' 38' ' ' ARG . 9.7 t -120.0 168.83 10.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.656 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -60.05 -35.94 76.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.723 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.05 -39.22 91.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.361 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.448 ' H ' HG23 ' A' ' 35' ' ' THR . 12.9 mmt180 -76.15 -56.91 4.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.257 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.467 ' HD3' ' HD3' ' A' ' 54' ' ' LYS . 94.6 mtt180 -52.04 -30.35 25.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.45 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -76.53 -58.77 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.913 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 45' ' ' VAL . 11.7 pt-20 -54.04 -40.41 67.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.657 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 38' ' ' ARG . 11.9 m -73.59 -26.81 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.223 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.3 -26.2 33.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -76.55 -30.48 57.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.032 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 41' ' ' GLU . 12.5 m -87.96 -32.5 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.301 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 23' ' ' GLU . 95.9 mt -90.06 -0.63 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.761 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 58.8 32.19 21.97 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 26.5 mt -113.01 179.66 3.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.707 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 m -91.54 155.59 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.714 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.36 -37.28 82.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.528 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 62.4 mtt180 -85.76 -33.52 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.929 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -65.19 -30.79 71.72 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.87 -43.51 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.467 ' HD3' ' HD3' ' A' ' 39' ' ' ARG . 46.7 pttt -70.24 -47.5 61.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.574 0.226 . . . . 0.0 111.46 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.82 -29.56 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.148 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -63.63 -52.3 61.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.029 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -63.13 -41.41 99.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.277 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -53.2 -61.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.79 -46.33 87.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.553 ' HD3' ' HD3' ' A' ' 63' ' ' LYS . 23.3 tpp180 -55.96 -25.34 43.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.3 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -81.79 -47.7 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.372 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.5 mtp -51.06 -47.19 61.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.612 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HD3' ' HD3' ' A' ' 60' ' ' ARG . 22.2 ptmt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.033 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.0 p90 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 121.228 0.537 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 20' ' ' GLN . 15.1 t -100.11 178.8 4.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.71 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -71.25 -33.75 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -66.75 -50.3 63.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.288 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.554 ' H ' HG23 ' A' ' 17' ' ' THR . 55.0 mt-30 -59.77 -51.52 69.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.596 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 17' ' ' THR . 9.9 t -63.24 -24.0 67.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.38 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -65.14 -49.69 68.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.041 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HB2' HD21 ' A' ' 46' ' ' LEU . 16.8 mm-40 -64.84 -43.51 92.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.304 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.31 -38.81 85.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.91 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 10.5 pt-20 -71.13 -30.55 66.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.646 0.26 . . . . 0.0 110.994 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -59.87 -46.92 87.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -83.82 -28.87 27.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -48.52 -21.96 0.66 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.599 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.9 mt -64.56 -59.7 4.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.265 0.555 . . . . 0.0 110.95 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' MET . 23.5 t80 -105.19 -58.08 1.94 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.908 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 35.72 25.7 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.777 -178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' PHE . 35.5 mtm -105.55 -3.22 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.013 0.435 . . . . 0.0 110.997 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -173.59 118.59 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.075 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.44 HD11 ' NE ' ' A' ' 39' ' ' ARG . 3.0 pp -143.82 -178.99 6.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.328 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 t -115.29 163.16 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.139 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -59.66 -35.12 73.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -60.8 -31.97 71.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 42' ' ' VAL . 10.3 mmt180 -67.93 -56.33 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NE ' HD11 ' A' ' 34' ' ' LEU . 93.2 mtt180 -52.91 -29.69 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.384 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -76.65 -59.03 2.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.621 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -54.75 -42.2 71.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.476 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 38' ' ' ARG . 10.5 m -71.21 -26.71 27.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.107 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.32 -25.71 33.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.01 0.433 . . . . 0.0 110.985 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.91 -32.22 63.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -88.38 -26.47 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.23 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 23' ' ' GLU . 88.5 mt -92.74 -2.08 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m120 59.66 32.83 21.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.165 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 22.1 mt -117.91 179.57 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 53' ' ' VAL . 27.3 m -101.79 147.07 26.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.701 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -50.29 -40.58 48.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.879 0.371 . . . . 0.0 111.007 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -65.36 -53.1 48.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -55.83 -25.93 44.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.538 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 49' ' ' THR . 70.3 t -72.88 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.707 0.289 . . . . 0.0 111.517 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.07 -45.25 91.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.775 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.2 mt -61.21 -33.18 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.535 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -61.34 -55.83 27.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.116 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -62.31 -43.98 97.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.438 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -53.65 -54.34 39.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.538 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -54.13 -45.49 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.253 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -59.18 -23.56 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.224 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -83.16 -45.77 13.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.315 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.3 mtp -51.33 -47.88 62.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.657 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.2 pttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.445 ' HB2' ' HB2' ' A' ' 20' ' ' GLN . 3.3 p90 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.978 0.418 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.475 HG23 ' H ' ' A' ' 20' ' ' GLN . 9.5 t -90.99 169.64 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -57.2 -30.57 64.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -67.91 -49.58 61.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.172 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.475 ' H ' HG23 ' A' ' 17' ' ' THR . 53.2 mt-30 -59.38 -53.19 60.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.458 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -63.07 -23.76 67.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.447 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -61.9 -47.94 82.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.608 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.6 mm-40 -73.18 -39.14 65.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.13 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.43 -35.25 80.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.42 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 11.9 pt-20 -78.04 -28.09 48.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.865 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 25.7 mmmt -59.67 -43.05 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.839 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -84.62 -34.69 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.565 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -48.64 -22.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.251 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.63 -61.37 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.209 0.528 . . . . 0.0 111.032 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -105.53 -55.15 2.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.269 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 34.9 30.99 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.685 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 89.8 mmm -76.45 -28.18 56.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.788 0.328 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -177.56 144.19 0.38 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.87 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.3 mt -143.87 178.99 7.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.031 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -120.14 166.05 13.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -56.78 -36.9 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.09 0.472 . . . . 0.0 110.481 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.0 -34.21 67.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.819 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' O ' HG13 ' A' ' 42' ' ' VAL . 15.3 mmt180 -77.39 -52.9 8.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.06 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -53.61 -30.1 41.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -74.29 -57.19 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.638 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.95 -46.02 85.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.583 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 38' ' ' ARG . 11.3 m -65.31 -25.82 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.487 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.99 -25.98 36.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -71.44 -34.96 70.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.793 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.4 m -88.02 -26.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.446 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 23' ' ' GLU . 81.2 mt -95.17 -2.44 49.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.221 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 58.36 32.45 22.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.487 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 28.8 mt -111.55 179.73 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.739 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.6 m -99.28 151.28 21.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -55.08 -35.16 64.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -85.79 -34.74 21.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -57.63 -39.26 76.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.617 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 54' ' ' LYS . 30.6 m -68.11 -44.24 84.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.749 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 53' ' ' VAL . 54.5 mtmt -66.46 -49.43 66.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.742 0.306 . . . . 0.0 110.785 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 98.2 mt -56.7 -27.85 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.466 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -63.6 -52.67 59.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.564 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -62.37 -39.4 93.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -48.95 -57.07 7.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.361 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -57.53 -44.46 85.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.242 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -56.42 -23.16 36.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.233 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -83.53 -47.15 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.942 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.5 mtp -51.57 -49.22 62.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.34 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.966 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -139.71 -36.71 0.5 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.798 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -169.43 -22.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 pt -75.55 -32.15 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -136.33 -1.69 2.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.92 126.89 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -159.57 -62.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.772 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.8 t -82.19 118.42 23.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 t -130.2 6.28 4.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 10' ' ' ARG . 4.5 mmp_? -106.03 17.85 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -107.56 -77.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.61 ' HG3' ' HG2' ' A' ' 15' ' ' PRO . 39.2 ttpt 54.3 78.81 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -64.52 -75.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.254 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.599 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 77.5 m -149.07 54.3 1.62 Allowed Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.029 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.61 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 5.1 Cg_exo -79.89 23.47 0.67 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.527 2.152 . . . . 0.0 112.416 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -92.29 172.07 8.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.537 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.805 HG23 ' H ' ' A' ' 20' ' ' GLN . 11.1 t -101.06 159.85 14.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -67.4 -33.14 74.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.496 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.403 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 6.5 t80 -65.98 -45.15 82.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.981 0.42 . . . . 0.0 111.331 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.805 ' H ' HG23 ' A' ' 17' ' ' THR . 30.0 mt-30 -58.38 -57.51 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.312 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -62.47 -23.19 66.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.487 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -60.8 -53.77 53.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.191 -179.516 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HG3' HD13 ' A' ' 46' ' ' LEU . 13.0 mm-40 -67.07 -32.23 73.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.28 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.36 -39.9 81.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.385 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.52 -27.98 37.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.675 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -63.07 -40.09 96.66 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.71 -37.72 48.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.726 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -51.06 -23.23 2.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.476 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.49 -62.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.117 0.484 . . . . 0.0 112.098 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -105.01 -53.5 2.65 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.492 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -78.62 65.55 3.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.263 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 71.3 mtp -56.2 -33.16 65.05 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.333 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -101.72 163.41 12.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.307 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 39' ' ' ARG . 3.9 mm? -111.7 122.04 46.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 111.373 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -115.23 164.94 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -54.1 -35.09 61.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 111.078 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.02 -60.03 4.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 42' ' ' VAL . 31.7 mmt180 -62.79 -58.88 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.442 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' CZ ' ' HD3' ' A' ' 54' ' ' LYS . 59.3 mtp180 -41.47 -38.99 1.4 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.806 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -71.11 -59.31 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.93 -47.78 83.84 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 38' ' ' ARG . 10.1 m -62.63 -23.68 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 111.275 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -79.85 -24.69 41.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -79.78 -30.64 40.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.144 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.3 m -88.55 -29.73 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.27 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.544 ' HB3' ' HG ' ' A' ' 48' ' ' LEU . 2.0 tp -95.47 0.1 52.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 57.47 36.65 27.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.634 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 46' ' ' LEU . 30.0 mt -114.37 179.03 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.823 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 25.8 m -93.81 149.48 21.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.647 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -50.77 -39.1 51.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -85.81 -31.33 22.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.445 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.513 ' HB2' ' HB ' ' A' ' 49' ' ' THR . 8.8 tt0 -55.57 -45.22 77.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.921 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -72.07 -40.11 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.44 ' HD3' ' CZ ' ' A' ' 39' ' ' ARG . 37.4 ttpt -63.96 -49.69 71.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.912 0.387 . . . . 0.0 110.83 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.455 HG22 ' ND2' ' A' ' 59' ' ' ASN . 77.2 mt -61.61 -27.42 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.812 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -62.15 -47.94 82.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.683 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -70.06 -42.43 72.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.828 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 62' ' ' MET . 36.0 tt0 -54.81 -57.57 11.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.174 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.455 ' ND2' HG22 ' A' ' 55' ' ' ILE . 92.8 m-20 -51.87 -47.93 64.27 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.371 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -52.35 -28.85 21.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -83.76 -43.24 15.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.45 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 37.1 mtp -54.05 -46.68 72.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.544 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -58.86 -28.6 66.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.707 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.3 mtp -84.63 -20.69 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.697 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -75.05 -59.67 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -77.11 -5.66 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 81.3 mtp 57.95 -171.01 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.952 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.765 0.317 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.469 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . 1.7 m-20 59.23 17.41 5.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -94.73 -58.33 2.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.75 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.5 pt -133.63 -8.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.2 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -97.3 -0.4 46.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.469 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . . . -65.07 137.18 57.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 58.39 100.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.274 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -148.84 111.5 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.753 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 m -133.56 143.63 48.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.64 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 38.1 ttp180 60.89 179.0 0.1 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.64 ' H ' ' HG2' ' A' ' 10' ' ' ARG . 62.7 tttp -50.2 144.69 6.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.267 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -79.18 168.88 18.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -139.97 91.42 2.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.8 m 50.08 65.92 6.25 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.026 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -91.77 32.27 0.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.075 2.517 . . . . 0.0 112.72 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -56.95 152.63 12.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.277 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 20' ' ' GLN . 15.2 t -100.99 170.16 8.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.051 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -66.1 -32.81 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.674 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -48.25 38.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.781 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.663 ' H ' HG23 ' A' ' 17' ' ' THR . 17.4 pt20 -62.65 -38.72 91.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.32 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -77.27 -23.69 51.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -63.23 -54.52 36.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.504 -179.73 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.619 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.8 mm-40 -67.24 -40.55 86.32 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.05 -36.75 80.4 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -80.73 -42.44 21.88 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -58.38 -31.22 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.7 pt-20 -87.87 -34.25 18.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.639 0.257 . . . . 0.0 111.623 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -55.98 -23.08 30.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.331 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.33 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -105.96 -50.21 3.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.061 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 27' ' ' GLU . 79.3 m-20 -75.27 63.91 1.42 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.913 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.7 mtt -70.46 -21.21 62.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.097 0.475 . . . . 0.0 110.279 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -148.3 124.57 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.199 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 38' ' ' ARG . 96.1 mt -127.02 -179.67 4.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.078 0.466 . . . . 0.0 111.698 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -101.57 177.53 4.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.13 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -35.43 72.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -60.99 -53.24 59.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.54 ' HB3' HD13 ' A' ' 34' ' ' LEU . 6.0 mmt180 -62.89 -45.09 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.057 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -57.73 -25.68 60.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.449 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 83.9 t80 -76.02 -58.52 3.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.542 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.78 -41.09 70.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.323 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 m -71.86 -25.03 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.85 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.29 -25.52 33.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.632 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -74.28 -30.82 62.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.689 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 m -88.36 -27.58 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.619 HD21 ' HB2' ' A' ' 23' ' ' GLU . 64.2 mt -92.81 -4.73 52.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 58.89 31.94 21.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.639 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 28.6 mt -113.42 179.42 3.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.75 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.6 m -95.2 144.96 25.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.894 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 40' ' ' TYR . 43.6 mt-10 -52.96 -41.29 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.032 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 8.8 mpt_? -76.52 -33.24 58.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -64.88 -26.41 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.348 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.1 t -76.04 -51.8 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.706 0.288 . . . . 0.0 111.451 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HB2' ' NZ ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -63.4 -45.05 92.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.411 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.3 mt -63.07 -32.59 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.261 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -61.9 -52.46 64.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.034 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -67.46 -36.75 81.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.26 -44.82 88.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.665 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -58.44 -45.76 87.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 97.6 mtt180 -61.34 -21.68 64.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.093 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -82.8 -30.16 29.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.3 mtp -69.29 -41.67 76.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.488 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 62.3 pttt -59.83 -37.95 80.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.726 0.298 . . . . 0.0 110.807 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 97.0 mmm -77.79 -12.13 59.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.006 0.432 . . . . 0.0 110.439 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -106.04 -0.74 24.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -100.86 -29.27 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 64.0 mtt -97.59 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.079 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.59 -75.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -163.82 -32.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.7 pt -85.07 15.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.437 ' HB3' ' HG3' ' A' ' 7' ' ' ARG . 38.3 t60 61.53 20.93 11.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.114 0.483 . . . . 0.0 110.158 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.34 15.53 4.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.22 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.437 ' HG3' ' HB3' ' A' ' 5' ' ' HIS . 75.4 mtp180 -78.78 135.81 37.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.6 t -146.28 160.18 42.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.5 p -67.63 137.58 55.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -97.29 136.92 37.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -109.74 104.84 13.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.598 ' HE3' ' HB3' ' A' ' 15' ' ' PRO . 55.5 mtmt -141.58 -175.62 4.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -72.93 -53.47 11.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.798 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.0 p -139.65 71.51 37.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.598 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 87.6 Cg_endo -88.57 29.37 0.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.888 2.392 . . . . 0.0 112.739 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -60.77 158.71 12.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.33 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -99.82 -176.53 3.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.124 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -82.34 -20.52 37.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.482 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -82.94 -43.52 16.38 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.046 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.579 ' HA ' HD22 ' A' ' 46' ' ' LEU . 80.3 mt-30 -59.65 -40.13 86.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.962 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -80.34 -23.64 40.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -62.08 -42.32 99.09 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.858 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.496 ' HB2' HD11 ' A' ' 46' ' ' LEU . 18.1 mm-40 -78.5 -44.11 25.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.362 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.91 -34.22 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.425 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.8 -28.55 50.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.552 0.215 . . . . 0.0 111.221 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 8.2 mmmm -56.86 -45.23 82.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -86.13 -28.56 23.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.635 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 65.3 t80 -53.39 -21.12 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.996 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -62.13 -57.64 10.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.273 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.35 -55.61 2.3 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.619 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.635 ' ND2' ' HA ' ' A' ' 28' ' ' PHE . 24.6 m-20 45.14 17.14 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.288 -178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.5 mmt -65.32 -9.78 27.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 0.0 110.653 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -179.59 147.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.107 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.479 HD23 ' HE ' ' A' ' 39' ' ' ARG . 10.8 tp -135.8 144.05 45.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.1 t -120.33 161.58 20.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.317 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.84 -39.17 80.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.303 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.44 -29.44 67.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.672 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' H ' HG23 ' A' ' 35' ' ' THR . 25.1 tpp180 -79.92 -51.36 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.395 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.479 ' HE ' HD23 ' A' ' 34' ' ' LEU . 86.0 mtt180 -54.43 -28.73 46.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.11 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -73.31 -58.44 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.652 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -57.54 -44.2 85.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.692 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.35 -25.52 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.802 0.334 . . . . 0.0 111.074 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.2 -28.25 38.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -72.8 -32.3 65.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -88.04 -31.35 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.247 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 20' ' ' GLN . 57.4 mt -90.21 -3.35 57.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 57.5 33.99 24.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.421 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 24.7 mt -115.04 179.35 3.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.803 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 m -94.57 148.32 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.514 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 2.0 mp0 -53.24 -52.34 59.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 0.0 110.714 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -62.83 -38.84 92.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.729 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -52.21 -40.17 61.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.1 t -61.54 -47.57 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -63.68 -54.81 29.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.3 mt -52.87 -34.72 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.886 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -60.29 -56.26 23.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -64.38 -26.58 68.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 62' ' ' MET . 16.2 tp60 -61.5 -53.52 55.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -57.44 -43.14 83.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.505 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -61.07 -22.42 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.619 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -83.25 -39.17 21.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.83 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 35.3 mtt -53.45 -47.26 69.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.533 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -59.08 -40.14 84.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.666 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.8 mmt -70.63 -17.03 62.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.029 0.442 . . . . 0.0 110.362 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -89.08 -9.74 50.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.006 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -87.91 -24.97 23.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.77 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.8 tpt -68.61 -64.16 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.968 179.83 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.818 0.342 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -113.68 -49.13 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -103.49 -2.23 27.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.1 mm -92.91 -48.43 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -138.84 -23.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.63 -178.21 0.1 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -100.14 -171.88 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.8 m -57.82 156.48 8.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.7 p -66.49 121.56 15.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.078 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -146.89 15.6 1.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -125.28 -72.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -88.68 157.77 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -138.56 -6.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 23.3 p -161.33 62.17 1.49 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 14' ' ' CYS . 97.7 Cg_endo -89.89 27.92 0.46 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.718 2.279 . . . . 0.0 113.067 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -93.17 160.48 14.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.679 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' H ' ' A' ' 20' ' ' GLN . 14.8 t -99.88 168.73 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.057 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -61.75 -27.14 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.289 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -75.03 -42.02 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.324 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.513 ' H ' HG23 ' A' ' 17' ' ' THR . 52.8 mt-30 -59.97 -57.58 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -61.45 -23.75 66.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.485 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -65.32 -51.7 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.572 -179.718 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.667 ' HB2' HD21 ' A' ' 46' ' ' LEU . 18.9 mm-40 -74.37 -34.69 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.81 -32.54 73.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.805 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.1 pt-20 -80.51 -35.95 33.92 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.388 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 72.8 mmtt -58.76 -37.39 76.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.684 0.278 . . . . 0.0 111.184 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -84.44 -21.85 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -65.67 -22.76 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.58 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.42 -58.58 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.22 0.534 . . . . 0.0 111.156 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -77.28 -55.55 5.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.188 -179.304 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 48.08 25.56 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.71 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.434 ' O ' ' HB3' ' A' ' 33' ' ' TYR . 4.6 mmt -79.37 14.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.599 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 32' ' ' MET . 76.8 t80 72.24 86.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.96 -179.96 1.33 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.741 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.9 t -106.88 175.83 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -58.58 -32.53 69.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.357 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -57.37 -41.97 81.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.716 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -75.35 -50.46 15.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.05 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -51.76 -31.55 27.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -72.06 -59.13 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.666 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.4 -43.56 83.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.756 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 m -69.72 -21.64 24.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.709 0.29 . . . . 0.0 111.275 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -81.93 -26.59 33.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 110.786 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -73.61 -35.16 65.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.72 -26.03 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.975 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 23' ' ' GLU . 50.6 mt -94.57 -4.18 48.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.825 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 59.49 32.85 21.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.972 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 22.3 mt -117.1 179.74 3.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.78 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 51' ' ' ARG . 21.6 m -97.91 149.76 22.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.63 -34.02 61.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.936 0.398 . . . . 0.0 111.083 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.413 ' H ' HG22 ' A' ' 49' ' ' THR . 33.1 mmt180 -79.75 -53.41 6.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.339 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -44.93 -51.14 10.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.999 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.56 -40.16 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.686 0.279 . . . . 0.0 111.603 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -64.95 -62.29 1.65 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 111.041 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.0 mt -53.3 -31.7 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.394 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -60.88 -46.15 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -74.76 -33.06 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.986 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -54.6 -58.02 9.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.929 0.395 . . . . 0.0 110.943 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -64.88 -42.13 95.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.563 ' HD3' ' HD3' ' A' ' 63' ' ' LYS . 6.1 tpp180 -52.16 -24.74 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.188 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -82.75 -50.17 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.027 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.5 mtp -58.7 -45.19 90.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.761 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.563 ' HD3' ' HD3' ' A' ' 60' ' ' ARG . 22.3 ptmt -58.22 -37.41 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.158 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.9 mtp -82.75 -10.97 58.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.658 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -103.64 14.49 31.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -23.45 62.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.971 0.415 . . . . 0.0 110.649 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -108.51 -28.01 9.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.833 179.895 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.453 ' HB2' ' HB3' ' A' ' 6' ' ' ALA . 14.5 m120 -108.91 -50.15 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -106.27 -86.05 0.49 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.247 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.8 mm -119.85 -17.7 6.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -176.57 13.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 2' ' ' ASN . . . -54.88 125.86 21.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -120.5 -69.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.943 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.7 t -117.59 173.15 6.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.6 p -82.28 3.62 26.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -160.85 117.93 2.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 1.4 pptp? -94.77 164.24 13.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -111.79 149.85 31.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -158.42 -64.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.494 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 74.2 m -144.44 57.26 4.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.681 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 14' ' ' CYS . 89.9 Cg_endo -92.83 30.72 0.29 Allowed 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.996 2.464 . . . . 0.0 113.005 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -74.87 146.74 41.67 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.615 HG23 ' H ' ' A' ' 20' ' ' GLN . 15.1 t -100.08 179.14 4.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -74.07 -26.52 60.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.28 -38.09 51.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.592 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.615 ' H ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -64.51 -38.7 91.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.997 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -82.08 -23.21 35.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -64.01 -46.33 85.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.584 ' HB2' HD21 ' A' ' 46' ' ' LEU . 20.0 mm-40 -73.47 -41.23 63.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.349 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.38 -32.41 74.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.753 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.4 pt-20 -80.95 -33.45 33.96 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.224 -0.191 . . . . 0.0 111.374 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 37.4 mmtm -57.16 -42.07 80.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.297 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -84.56 -33.45 23.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -51.86 -22.5 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.084 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.13 -60.23 3.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 111.418 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -104.96 -52.45 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.666 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 36.39 43.07 0.22 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.751 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -59.02 -38.74 79.97 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.205 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -168.05 141.05 3.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -107.36 117.72 34.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -113.88 171.88 7.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.699 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -56.56 -28.07 59.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.185 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.6 -54.65 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -66.68 -55.05 16.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.28 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -49.15 -34.51 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.885 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -73.0 -59.43 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.43 -42.93 71.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.558 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 m -72.06 -20.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.321 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.35 -27.89 34.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.386 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -76.14 -32.61 59.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.1 m -87.74 -30.63 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.394 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.584 HD21 ' HB2' ' A' ' 23' ' ' GLU . 81.5 mt -93.49 -3.21 53.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.4 t30 57.37 37.75 28.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.013 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.1 mt -114.13 178.55 4.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.072 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.455 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 22.7 m -85.56 152.02 23.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.676 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.01 -36.22 70.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -85.52 -31.52 22.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.409 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.455 ' HB2' ' HB ' ' A' ' 49' ' ' THR . 8.7 tt0 -52.7 -30.95 35.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.384 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.01 -61.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.683 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -62.22 -34.79 77.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.653 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.61 -30.88 50.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.83 0.348 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.16 -51.44 61.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -67.7 -38.58 83.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -58.33 -49.43 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -55.42 -46.05 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.977 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -62.22 -21.95 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -83.72 -37.1 23.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.1 mtm -55.63 -46.53 77.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.255 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -58.63 -31.25 67.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.561 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 95.6 mmm -86.18 -16.07 38.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.063 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -69.68 -4.55 20.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.244 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.21 -34.35 12.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.639 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -169.09 138.0 2.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.755 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.7 t30 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.001 -179.869 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.482 ' N ' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -167.55 -51.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -165.56 -19.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.6 mt -59.07 -60.81 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -134.62 -4.64 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.482 ' HB3' ' N ' ' A' ' 1' ' ' ALA . . . -146.99 171.01 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.277 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -135.77 -67.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.674 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.5 p -109.12 -19.71 13.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.2 m 58.38 96.09 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -164.14 17.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.492 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -84.49 107.45 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.148 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.518 ' HB2' ' HG3' ' A' ' 15' ' ' PRO . 75.6 mmtt -131.12 168.45 17.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.45 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -97.51 -35.55 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.001 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.7 t -154.71 70.05 5.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.518 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 66.5 Cg_endo -90.21 16.7 1.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.627 2.218 . . . . 0.0 112.756 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -107.61 155.58 19.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.482 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.502 ' H ' ' HG2' ' A' ' 20' ' ' GLN . 25.1 p -95.52 169.12 10.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.15 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -74.6 -19.9 60.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.58 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -83.28 -47.77 11.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.092 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.502 ' HG2' ' H ' ' A' ' 17' ' ' THR . 18.3 pt20 -62.53 -33.52 75.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.166 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 17' ' ' THR . 12.3 t -82.3 -25.28 34.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.096 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -62.32 -39.49 93.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.4 mm-40 -82.99 -46.28 13.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.339 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.09 -26.11 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.549 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 11.2 pt-20 -80.43 -33.73 36.68 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 71.2 mmtt -55.67 -40.39 72.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.932 0.396 . . . . 0.0 110.512 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -84.95 -35.35 22.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.526 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -50.16 -21.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.332 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.49 -59.78 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.245 0.545 . . . . 0.0 111.007 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -105.18 -55.69 2.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.037 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 39.2 22.91 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.918 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.4 mtp -92.18 -13.43 30.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.176 0.512 . . . . 0.0 110.354 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -152.78 132.78 13.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.546 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.521 HD23 ' HE ' ' A' ' 39' ' ' ARG . 10.8 tp -141.61 143.46 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.808 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 38' ' ' ARG . 9.9 t -120.28 171.64 8.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -63.15 -35.43 80.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.73 -39.25 90.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.344 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' H ' HG23 ' A' ' 35' ' ' THR . 22.6 tpp180 -72.16 -48.92 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.745 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HE ' HD23 ' A' ' 34' ' ' LEU . 94.5 mtt180 -54.69 -31.07 57.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.547 ' HA ' ' HG3' ' A' ' 50' ' ' GLU . 69.2 t80 -74.37 -59.12 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.928 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.82 -41.39 67.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.603 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 m -74.02 -22.78 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.282 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.34 -28.73 31.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HA ' ' HE ' ' A' ' 44' ' ' ARG . 2.7 mmp_? -76.47 -29.86 57.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 m -87.72 -33.26 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.429 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 23' ' ' GLU . 74.6 mt -89.33 1.13 56.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.6 m120 58.47 32.19 21.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.1 mt -114.76 179.07 4.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.44 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 15.7 m -95.74 147.53 23.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.656 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.547 ' HG3' ' HA ' ' A' ' 40' ' ' TYR . 2.4 mp0 -56.51 -36.34 69.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.485 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 8.9 mpt_? -73.94 -41.18 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.068 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.44 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 18.7 mm-40 -57.03 -23.82 49.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 49' ' ' THR . 70.4 t -69.24 -62.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.554 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 51' ' ' ARG . 50.3 pttt -62.0 -46.2 90.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.689 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.9 mt -55.89 -35.03 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.152 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -60.79 -53.53 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.542 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.92 -32.31 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.477 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 62' ' ' MET . 68.8 mt-30 -58.04 -50.93 71.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.061 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -54.14 -43.64 70.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.05 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 71.4 mtt180 -63.11 -23.14 67.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.187 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.476 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 43.7 ttp180 -84.41 -42.79 15.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.864 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 17.4 ptm -83.79 -12.31 55.85 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -60.13 -40.55 90.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.771 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.429 ' HG3' ' HG3' ' A' ' 63' ' ' LYS . 71.5 mtm -85.75 -18.62 32.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 61' ' ' ARG . 46.3 mmtm -73.08 -29.14 62.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.212 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -86.09 5.73 32.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.187 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 96.4 mmm -111.62 103.39 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.331 -0.843 . . . . 0.0 110.858 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.803 0.335 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -99.6 -179.62 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 19.2 m-90 -68.71 -17.73 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.0 mm -93.3 16.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.597 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 60.29 27.14 16.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.011 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.62 112.3 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.231 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -154.28 139.19 17.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.8 p -132.91 116.61 16.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.6 p 52.38 -173.19 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.663 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -158.5 146.51 18.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.574 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -103.82 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.115 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 61.57 171.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.297 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -117.78 -20.12 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.274 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.0 p -151.08 68.57 8.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.623 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -91.31 33.04 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.966 2.444 . . . . 0.0 112.582 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -54.59 151.88 7.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.241 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 20' ' ' GLN . 10.2 t -100.58 167.37 10.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 3.8 mptp? -66.42 -28.66 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.759 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -67.97 -44.9 75.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.657 ' H ' HG23 ' A' ' 17' ' ' THR . 67.4 mt-30 -55.8 -55.5 31.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.174 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -68.31 -22.22 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -49.48 77.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.453 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.605 ' HB2' HD21 ' A' ' 46' ' ' LEU . 13.9 mm-40 -70.47 -40.02 73.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.838 0.351 . . . . 0.0 111.496 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.82 -32.46 73.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.914 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.41 -39.33 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.625 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -57.17 -37.11 71.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.499 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -83.32 -34.99 25.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.744 0.306 . . . . 0.0 111.361 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -52.53 -22.8 5.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.543 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 mt -75.73 -62.68 1.5 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.135 0.493 . . . . 0.0 111.938 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -105.47 -56.17 2.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.806 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -77.98 64.78 3.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.665 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.4 mtt -61.76 -28.62 69.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -129.85 113.15 14.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.285 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.9 mt -89.11 175.99 7.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.174 0.511 . . . . 0.0 111.809 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 37' ' ' ASP . 12.4 t -120.08 -176.55 3.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.534 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -58.95 -38.35 78.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 110.578 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.412 ' H ' HG23 ' A' ' 35' ' ' THR . 11.5 m-20 -65.54 -57.18 8.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 42' ' ' VAL . 18.4 mmt180 -56.92 -49.05 76.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -52.09 -31.93 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.41 -58.62 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.445 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -57.56 -45.81 84.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.581 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 38' ' ' ARG . 13.0 m -66.09 -23.54 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.72 0.295 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.38 -25.0 34.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -77.5 -32.82 54.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -87.77 -25.89 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.305 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 20' ' ' GLN . 46.6 mt -95.55 -5.28 43.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.39 33.62 22.46 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.802 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.444 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.2 mt -115.47 179.11 4.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.488 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 44.6 m -91.85 145.61 24.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.36 -55.47 21.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 70.1 mtm180 -62.14 -34.6 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.958 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.488 ' HB2' ' HB ' ' A' ' 49' ' ' THR . 53.1 tt0 -58.0 -31.78 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.2 t -59.9 -60.49 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.334 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 51' ' ' ARG . 61.4 pttt -62.73 -38.16 89.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.306 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.3 mt -67.63 -27.94 40.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -66.95 -51.41 55.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.76 -39.4 87.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.1 -54.08 50.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.69 -47.21 73.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -57.07 -25.49 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -82.97 -35.32 26.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.1 mtp -57.47 -49.88 74.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -58.95 -36.68 75.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 65.2 mtt -77.54 -16.56 58.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -83.8 -9.23 58.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.299 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -95.79 -34.87 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.5 ptm -167.75 -171.57 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.929 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.762 0.315 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -159.39 -50.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.812 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -156.86 -32.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.3 pt -82.98 -30.06 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.275 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -94.03 -48.64 6.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.23 -171.51 0.12 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.351 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 59.62 96.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.174 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.8 m -156.32 -30.7 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.4 p -87.34 112.09 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -113.33 167.99 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -77.25 172.79 12.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.07 103.22 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.043 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -88.77 -54.93 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.626 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.5 t -154.09 81.48 4.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.558 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -83.4 25.03 0.7 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.584 2.189 . . . . 0.0 112.368 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -85.48 173.19 10.42 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.977 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.782 HG23 ' H ' ' A' ' 20' ' ' GLN . 7.1 t -100.6 167.36 10.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.757 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -70.04 -31.54 69.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 -179.71 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -69.34 -49.64 53.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.382 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.782 ' H ' HG23 ' A' ' 17' ' ' THR . 14.8 mm-40 -54.74 -56.27 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.237 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -63.4 -24.46 67.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.692 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -41.96 99.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.461 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.614 ' HB2' HD21 ' A' ' 46' ' ' LEU . 18.6 mm-40 -83.27 -46.82 12.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.567 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.27 -34.26 70.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.845 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.72 -32.92 73.06 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.157 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.29 -45.71 92.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -83.94 -27.27 28.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.353 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -53.67 -22.01 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -62.48 -59.13 5.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.47 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -104.81 -53.76 2.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.883 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 37.58 27.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.778 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.7 mmm -81.11 -22.71 38.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.789 0.328 . . . . 0.0 110.581 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.7 t80 175.61 140.21 0.06 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.379 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.1 mt -132.39 174.53 10.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 111.16 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 t -117.23 163.65 15.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.942 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -57.46 -27.09 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.93 -45.64 88.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -77.68 -51.43 10.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' NH2' ' HD3' ' A' ' 51' ' ' ARG . 60.9 mtp180 -51.88 -29.84 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.3 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.441 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 39.9 t80 -77.12 -56.86 4.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.64 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.53 -42.55 83.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.592 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 m -70.55 -25.16 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.25 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.16 -27.85 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -75.63 -30.65 59.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.164 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 m -88.19 -30.42 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.452 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 23' ' ' GLU . 95.3 mt -91.68 2.58 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.011 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.3 t30 59.17 30.79 20.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.221 0.534 . . . . 0.0 110.711 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 27.8 mt -113.51 179.59 3.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.745 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -106.42 149.28 27.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 40' ' ' TYR . 37.9 mt-10 -50.81 -32.22 19.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.869 0.366 . . . . 0.0 111.342 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HD3' ' NH2' ' A' ' 39' ' ' ARG . 31.1 mmt180 -84.99 -51.98 6.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.235 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -47.46 -45.91 26.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.343 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.1 -42.49 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -66.96 -52.72 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.616 0.246 . . . . 0.0 110.879 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.83 -28.16 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.083 0.468 . . . . 0.0 110.513 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -58.17 -53.96 52.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -68.34 -39.37 81.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -52.27 -53.74 40.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -55.69 -46.38 77.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -54.45 -24.17 19.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.314 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 2.0 mmp_? -82.66 -45.73 14.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.537 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 36.4 mtp -50.6 -52.3 40.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.016 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.491 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -57.24 -30.92 65.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.192 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 26.5 mmt -83.08 -20.36 35.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.64 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -82.87 -6.2 59.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.948 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -85.63 1.0 51.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 23.0 ptp -134.6 -22.91 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.725 179.806 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.507 ' HB2' HH21 ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -66.05 176.6 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -100.47 6.19 44.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.0 mm -113.98 -27.25 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -109.48 -30.31 8.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.972 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.54 176.61 0.14 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.28 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.507 HH21 ' HB2' ' A' ' 1' ' ' ALA . 20.5 tpp180 -95.09 -57.94 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.9 m -88.96 150.06 23.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.783 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.553 HG22 ' HG3' ' A' ' 10' ' ' ARG . 40.5 m -70.27 123.57 22.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.553 ' HG3' HG22 ' A' ' 9' ' ' THR . 55.0 mtm180 54.41 -174.17 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.31 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -125.79 -45.34 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.742 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -92.33 160.26 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.922 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -102.3 -43.73 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -147.29 74.15 11.78 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.621 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -90.82 30.78 0.35 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.919 2.413 . . . . 0.0 112.831 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -59.12 161.32 5.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.25 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.464 ' O ' HG22 ' A' ' 21' ' ' THR . 10.3 t -100.14 174.82 5.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.72 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -63.07 -29.63 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -70.96 -50.14 37.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.573 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.442 ' H ' HG23 ' A' ' 17' ' ' THR . 15.9 mm100 -57.65 -51.62 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.309 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 17' ' ' THR . 8.8 t -66.14 -24.71 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.676 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -61.91 -51.36 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.143 -179.574 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.57 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.5 mm-40 -67.04 -43.16 83.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.507 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.57 -40.32 96.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.793 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.3 pt-20 -74.38 -27.37 60.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.673 0.273 . . . . 0.0 110.692 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -59.32 -40.26 85.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.833 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.54 -20.02 32.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -64.92 -23.14 67.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.972 0.415 . . . . 0.0 110.817 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.64 -60.98 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.593 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -54.23 11.92 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.755 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 61.49 15.18 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.11 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 mmm -78.13 7.75 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.1 t80 70.48 105.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 38' ' ' ARG . 2.6 pt? -61.59 -178.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.618 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 t -119.96 178.87 4.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.13 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -56.16 -39.07 71.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.947 0.403 . . . . 0.0 110.597 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.61 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.589 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 24.4 mmt180 -60.97 -47.86 84.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.673 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -51.49 -30.49 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -77.34 -55.33 5.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.106 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 12.0 pt-20 -61.92 -44.88 95.86 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 38' ' ' ARG . 5.7 m -67.73 -28.6 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.592 0.234 . . . . 0.0 111.524 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -78.75 -27.35 44.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -72.19 -31.44 65.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.9 m -88.15 -26.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.034 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 23' ' ' GLU . 91.4 mt -92.86 -8.57 43.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.037 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 61.18 34.22 18.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.704 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.6 mt -119.81 179.2 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.714 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.495 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 22.3 m -90.56 149.06 22.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.714 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -55.14 -35.02 64.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.218 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' H ' HG22 ' A' ' 49' ' ' THR . 98.6 mtt180 -76.58 -33.64 58.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.363 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 28.8 mm-40 -62.4 -28.84 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.437 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.0 t -72.71 -53.41 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.462 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -62.93 -43.46 98.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.461 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.98 -27.94 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.147 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -65.14 -56.7 11.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.99 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -63.08 -35.13 79.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.165 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 62' ' ' MET . 34.8 tt0 -59.68 -55.57 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.812 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -51.36 -45.47 62.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.252 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -60.0 -25.57 65.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -83.89 -60.39 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.445 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 8.2 ptp -59.5 -29.63 67.99 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -59.12 -36.67 75.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.367 . . . . 0.0 110.52 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.5 mtm -85.5 -12.58 51.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.349 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -98.26 9.62 42.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -84.3 -32.2 24.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 69.8 mtm -105.69 138.04 42.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.879 179.935 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.437 ' ND2' ' H ' ' A' ' 5' ' ' HIS . 26.3 p-10 -138.04 -165.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.56 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 39.3 p-90 -118.96 10.08 12.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.3 mm -107.83 -39.68 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.144 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.437 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 47.9 t60 -99.26 -18.42 17.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.88 111.45 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.067 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -89.97 -4.42 57.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.0 t -128.06 107.42 9.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.7 t -170.51 157.66 6.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.475 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -145.53 142.89 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.757 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' HG3' ' HG3' ' A' ' 12' ' ' LYS . 15.9 tppt? -163.36 146.26 10.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.66 ' HE2' ' HB3' ' A' ' 15' ' ' PRO . 37.9 mtmm 64.15 152.73 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.527 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -100.08 -5.42 27.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.478 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 78.2 m -140.16 50.79 2.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.145 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.66 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 96.0 Cg_endo -84.96 24.87 0.73 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.407 2.071 . . . . 0.0 112.646 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -83.01 157.55 22.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 20' ' ' GLN . 8.9 t -86.89 166.32 15.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.38 -34.0 68.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.458 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -69.3 -50.87 42.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.289 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.607 ' H ' HG23 ' A' ' 17' ' ' THR . 95.6 mt-30 -55.32 -45.41 76.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.321 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -74.28 -23.44 59.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.347 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -37.82 83.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.602 ' HB2' HD21 ' A' ' 46' ' ' LEU . 17.9 mm-40 -81.71 -46.35 14.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.981 0.419 . . . . 0.0 111.157 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 20' ' ' GLN . 11.0 mp -61.46 -30.94 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.81 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.92 -30.17 62.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.629 0.252 . . . . 0.0 110.891 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -61.07 -44.53 97.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.641 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -83.74 -31.2 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -50.2 -22.23 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.97 -62.11 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 0.0 111.266 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -106.35 -53.41 2.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.244 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 p30 37.5 29.12 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.482 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 90.8 mmm -77.03 -26.49 53.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -171.81 143.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.564 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.0 mt -134.42 173.52 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.262 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 38' ' ' ARG . 9.6 t -120.34 171.25 8.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.128 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -63.05 -36.98 85.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.501 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -59.47 -36.84 76.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' O ' HG22 ' A' ' 42' ' ' VAL . 16.4 mmt180 -68.97 -52.93 23.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.189 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -51.98 -33.59 38.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -74.38 -58.92 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.06 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 45' ' ' VAL . 12.1 pt-20 -54.51 -43.39 71.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.678 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 38' ' ' ARG . 11.4 m -71.49 -22.59 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.727 0.298 . . . . 0.0 111.112 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.04 -26.85 33.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.906 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -80.01 -30.17 39.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.107 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 41' ' ' GLU . 11.1 m -88.04 -33.3 6.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.279 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.602 HD21 ' HB2' ' A' ' 23' ' ' GLU . 95.2 mt -89.0 1.96 54.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.3 t30 59.44 31.96 21.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.049 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.449 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.2 mt -116.78 179.6 3.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.556 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 10.4 m -101.04 157.36 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.555 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.03 -33.65 57.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -83.33 -28.61 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.556 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 16.0 mm100 -66.83 -37.45 84.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.7 -39.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.03 -48.63 73.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.6 -27.33 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.703 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -60.77 -57.29 13.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -65.42 -33.81 76.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.601 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 62' ' ' MET . 48.8 tp60 -59.35 -46.78 87.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.73 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -58.67 -45.52 89.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.773 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 40.9 mmt180 -60.63 -21.93 63.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.649 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -81.81 -40.82 21.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 33.7 mtt -54.87 -44.4 74.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.3 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.6 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 56.9 pttt -64.63 -32.9 74.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.802 0.334 . . . . 0.0 110.819 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.8 mmt -80.52 -14.6 58.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.778 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -84.2 -26.11 29.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.6 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 61.2 pttt -100.86 -17.86 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.72 123.05 18.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 t30 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.896 -179.845 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.69 0.281 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 59.74 11.05 2.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.239 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -145.33 -0.47 0.86 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.4 mt -135.76 -34.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.762 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -116.71 -52.8 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.03 99.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -124.36 140.19 53.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p -170.27 126.08 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.5 p -136.91 -4.06 1.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -91.93 115.17 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.792 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? 61.74 -83.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.174 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.7 tptp 64.8 152.01 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -72.18 -53.59 12.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m -139.02 79.15 27.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.736 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -91.56 32.32 0.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.918 2.412 . . . . 0.0 112.656 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -57.91 162.69 3.11 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.368 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 20' ' ' GLN . 8.9 t -99.8 172.52 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.597 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -61.97 -32.22 72.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.652 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -72.05 -52.71 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.496 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.545 ' H ' HG23 ' A' ' 17' ' ' THR . 99.2 mt-30 -55.88 -40.65 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.363 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 17' ' ' THR . 12.2 t -78.18 -23.79 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.31 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -58.86 -43.52 90.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.89 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HB2' HD11 ' A' ' 46' ' ' LEU . 24.0 mm-40 -79.49 -42.79 24.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.37 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.61 -28.73 70.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.649 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 12.0 pt-20 -80.8 -42.53 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.39 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 22' ' ' LEU . 28.7 mtpp -50.93 -38.44 50.24 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.641 0.257 . . . . 0.0 111.213 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.55 -36.5 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.468 ' C ' HD22 ' A' ' 31' ' ' ASN . 80.1 t80 -51.94 -22.01 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.789 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 25' ' ' GLU . 18.6 mt -61.57 -61.81 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.09 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.524 ' HB3' ' HG3' ' A' ' 32' ' ' MET . 0.1 OUTLIER -105.69 -47.58 3.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.468 HD22 ' C ' ' A' ' 28' ' ' PHE . 20.0 m-80 53.5 34.27 17.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.071 -177.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.524 ' HG3' ' HB3' ' A' ' 30' ' ' PHE . 74.3 mtp -42.31 -37.19 1.45 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.759 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 32' ' ' MET . 75.7 t80 178.08 143.51 0.11 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.741 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.24 115.03 28.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.4 t -117.72 163.84 15.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.247 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.27 -40.68 82.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.625 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -63.47 -26.6 68.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.975 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' H ' HG23 ' A' ' 35' ' ' THR . 31.7 tpt180 -82.45 -52.14 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -58.25 -28.3 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.898 0.38 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -74.79 -56.93 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.467 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.84 -41.46 77.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.449 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 38' ' ' ARG . 14.2 m -72.19 -22.54 21.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.079 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.15 -28.05 32.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' HA ' ' NE ' ' A' ' 44' ' ' ARG . 4.8 mmp_? -74.66 -31.82 62.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.97 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.3 m -88.11 -29.55 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.091 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 23' ' ' GLU . 82.7 mt -93.67 -3.09 53.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.27 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 57.73 34.28 24.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.803 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 28.5 mt -114.43 179.32 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.448 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 12.3 m -92.04 153.84 19.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -61.95 -33.74 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.472 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 1.5 mmp_? -82.53 -25.97 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.53 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 27.0 mt-30 -69.5 -41.67 75.78 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.0 m -63.71 -42.86 97.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 19.7 ptmt -69.57 -51.63 33.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.161 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.414 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 96.1 mt -59.35 -26.89 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 110.639 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.27 -51.44 66.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.641 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -65.05 -39.63 93.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.793 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -54.56 -61.09 2.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.93 -44.33 97.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.797 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -57.57 -21.98 42.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.743 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -83.32 -40.87 18.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.8 mtm -56.0 -46.3 78.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.731 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -55.31 -33.27 63.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 0.0 110.793 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 87.7 mtp -78.94 -23.65 44.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -82.98 2.59 33.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.095 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -106.84 20.52 18.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.097 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 57.7 ttp -161.26 -62.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.771 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.3 t30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.886 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.825 0.345 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -91.24 -42.99 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -122.63 27.49 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.434 ' O ' HG22 ' A' ' 4' ' ' ILE . 12.6 mm 62.99 7.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.079 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -124.43 -9.4 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.815 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 1' ' ' ALA . . . -71.48 101.54 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.315 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -127.22 110.27 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.772 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.9 m -144.05 171.1 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.062 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.6 p -125.26 -173.77 2.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.08 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -122.52 147.2 46.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt 62.23 170.57 0.13 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.286 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 56.84 -168.25 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -133.5 30.41 3.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.948 0.404 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.6 m 53.25 67.85 3.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -84.5 22.0 1.0 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.797 2.331 . . . . 0.0 112.409 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -111.4 171.81 7.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.949 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.738 HG23 ' H ' ' A' ' 20' ' ' GLN . 6.3 t -100.02 161.74 13.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 4.1 mptp? -62.32 -26.09 68.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.582 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.99 -56.58 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.422 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.738 ' H ' HG23 ' A' ' 17' ' ' THR . 13.9 mm100 -49.84 -48.93 50.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.954 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -72.6 -24.24 61.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -42.66 70.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.647 0.261 . . . . 0.0 111.631 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.579 ' HB2' HD21 ' A' ' 46' ' ' LEU . 9.3 mm-40 -81.77 -41.39 21.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.15 -31.76 72.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.91 -26.29 63.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.045 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -70.69 -42.73 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.239 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.04 -26.85 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.202 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -53.42 -22.03 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.43 -59.59 5.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.4 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.413 ' O ' ' HG2' ' A' ' 32' ' ' MET . 3.5 t80 -105.26 -52.98 2.74 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.164 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 37.65 27.41 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.656 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 20.1 mmt -88.92 -15.35 34.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -177.26 144.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.437 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD11 ' HG2' ' A' ' 38' ' ' ARG . 10.1 tp -143.8 159.0 43.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.993 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.8 t -104.59 158.22 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.24 -37.35 77.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.01 -35.68 71.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.216 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.526 ' HG2' HD11 ' A' ' 34' ' ' LEU . 19.3 tpt180 -78.9 -44.34 22.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.801 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' CZ ' ' HD3' ' A' ' 54' ' ' LYS . 75.6 mtt180 -56.93 -28.76 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.535 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.06 -57.38 4.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.216 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.52 -44.13 89.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.634 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 38' ' ' ARG . 13.0 m -67.57 -23.72 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 111.217 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.26 -26.34 33.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -76.16 -31.2 58.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.073 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 m -87.88 -33.91 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.434 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.579 HD21 ' HB2' ' A' ' 23' ' ' GLU . 77.0 mt -87.63 -1.27 57.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.988 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 m120 59.17 32.43 22.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 19.5 mt -115.62 179.51 3.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.569 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.527 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 17.6 m -101.24 150.27 23.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.537 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.43 -47.56 63.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.53 ' HD2' ' HZ1' ' A' ' 54' ' ' LYS . 15.0 mmm180 -64.51 -40.28 95.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.201 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.527 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 83.0 mm-40 -54.63 -35.7 63.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.335 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.41 -55.67 22.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.338 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HZ1' ' HD2' ' A' ' 51' ' ' ARG . 36.2 mtmm -62.09 -53.72 51.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.339 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.7 mt -55.14 -34.31 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.516 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 52.6 t90 -56.63 -57.67 11.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 110.639 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -68.22 -27.21 66.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.001 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -57.28 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.74 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.481 ' HA ' ' HG3' ' A' ' 62' ' ' MET . 48.8 m-80 -56.68 -43.39 80.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -53.31 -31.17 42.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.245 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -83.15 -33.15 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.497 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.481 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 37.4 mtp -55.4 -45.58 76.66 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -58.8 -34.7 71.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.762 0.315 . . . . 0.0 110.776 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.3 mtt -76.02 -22.49 55.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.046 0.45 . . . . 0.0 110.184 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -90.04 1.53 56.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.487 ' NZ ' ' HB3' ' A' ' 66' ' ' LYS . 4.2 mmmp? -116.82 -10.69 11.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 51.7 tpp -113.73 -49.78 2.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.893 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.632 ' H ' ' HB3' ' A' ' 6' ' ' ALA . 75.9 m-20 58.57 28.27 16.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.073 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -153.88 -29.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 56.9 mt -82.83 -44.8 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.063 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -156.76 -25.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.818 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.632 ' HB3' ' H ' ' A' ' 2' ' ' ASN . . . -73.9 164.79 26.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -131.64 156.45 45.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.9 t -105.83 158.78 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.835 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.461 HG23 ' HG2' ' A' ' 10' ' ' ARG . 8.3 t -152.6 -5.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.097 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' HG2' HG23 ' A' ' 9' ' ' THR . 3.0 mmp_? -119.53 134.93 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -110.56 134.87 52.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 56.3 95.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.379 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -72.42 -57.33 4.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.398 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.0 t -157.88 81.63 3.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.611 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -82.87 25.55 0.68 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.003 2.469 . . . . 0.0 112.401 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -92.43 166.88 12.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.877 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.672 HG23 ' H ' ' A' ' 20' ' ' GLN . 13.9 t -101.44 -176.79 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -81.98 -30.68 31.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -70.95 -43.74 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.672 ' H ' HG23 ' A' ' 17' ' ' THR . 76.4 mm-40 -59.33 -57.15 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -62.09 -23.75 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.469 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -61.81 -44.08 97.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.625 ' HB2' HD21 ' A' ' 46' ' ' LEU . 16.9 mm-40 -77.58 -40.67 41.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.918 0.39 . . . . 0.0 111.371 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.38 -32.75 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.461 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.95 -29.36 43.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.991 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 29.9 mmmt -57.13 -42.89 81.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.756 0.313 . . . . 0.0 110.5 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -82.77 -32.86 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.511 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -51.38 -22.05 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.123 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.88 -59.27 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.151 0.5 . . . . 0.0 111.638 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -103.94 -54.46 2.55 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.445 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 36.08 32.89 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.189 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.4 mmt -82.48 -21.27 35.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 111.081 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -171.06 117.89 0.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.667 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.482 HD23 ' HE ' ' A' ' 39' ' ' ARG . 13.6 tp -104.06 145.93 29.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t -120.15 160.45 22.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.182 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -58.16 -36.89 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -61.6 -32.61 72.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' O ' HG13 ' A' ' 42' ' ' VAL . 22.0 tpt180 -80.96 -45.73 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.804 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.482 ' HE ' HD23 ' A' ' 34' ' ' LEU . 81.2 mtt180 -56.77 -29.6 62.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.667 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -72.95 -59.01 2.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.746 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -56.25 -43.66 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.498 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 38' ' ' ARG . 10.4 m -70.39 -21.4 23.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.739 0.304 . . . . 0.0 111.208 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.03 -29.05 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.753 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -74.35 -30.52 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.943 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.6 m -88.07 -31.23 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.591 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 23' ' ' GLU . 86.3 mt -90.32 0.37 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.259 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 59.87 29.99 19.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.068 0.461 . . . . 0.0 110.658 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.7 mt -114.66 179.54 3.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.711 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 53' ' ' VAL . 28.2 m -104.2 148.55 26.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.62 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -48.42 -35.85 13.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.051 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -77.28 -51.28 11.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -50.19 -29.27 8.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.71 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 49' ' ' THR . 98.3 t -71.28 -61.6 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.391 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.401 ' NZ ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -59.28 -50.65 73.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.273 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.7 mt -51.6 -38.91 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.064 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -59.35 -47.87 83.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.405 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 64.2 m-85 -66.88 -30.99 71.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 62' ' ' MET . 26.6 mt-30 -65.25 -62.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.646 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -55.47 -52.65 62.93 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -54.99 -25.88 32.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 111.224 -179.473 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -81.51 -37.36 27.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.343 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 30.3 mtt -56.18 -43.15 78.14 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 22.7 pttm -57.91 -33.39 68.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.716 0.293 . . . . 0.0 110.954 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.3 mtm -83.93 -17.13 41.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.737 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -99.34 4.6 46.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.465 ' HB2' ' NZ ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -71.14 -33.76 70.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.706 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 95.7 mmm -99.97 167.27 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.488 -0.767 . . . . 0.0 111.034 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.674 0.273 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -115.37 2.35 13.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 63.32 19.02 11.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.9 mt -120.08 -37.73 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -126.55 10.63 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.32 -171.07 0.11 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.222 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -85.49 -17.85 35.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -98.78 103.31 15.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.8 m -147.75 111.57 5.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.964 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.44 ' HB2' ' HG2' ' A' ' 12' ' ' LYS . 99.6 mtt180 -113.85 -172.72 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.15 -16.8 62.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.275 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' HG2' ' HB2' ' A' ' 10' ' ' ARG . 21.7 pttp -62.06 118.42 7.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.104 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -173.95 -35.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.561 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . 46.0 t -66.76 -49.01 51.28 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.583 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.561 ' HD3' ' HB3' ' A' ' 14' ' ' CYS . 83.4 Cg_endo -90.93 -100.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.563 2.175 . . . . 0.0 112.438 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -76.91 156.06 32.35 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 19' ' ' TYR . 11.8 t -97.79 169.98 9.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -59.99 -23.71 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.441 ' H ' HG23 ' A' ' 17' ' ' THR . 1.7 m-85 -74.24 -52.27 12.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.421 ' H ' HG23 ' A' ' 17' ' ' THR . 54.5 mt-30 -53.12 -48.98 67.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -68.92 -26.42 65.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.303 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -39.98 94.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 111.087 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HB2' HD21 ' A' ' 46' ' ' LEU . 29.8 mm-40 -77.16 -47.97 18.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.672 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.76 -31.88 72.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.736 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.74 -37.25 62.56 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.115 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -55.29 -41.63 72.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.192 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -84.63 -30.74 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.774 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.639 ' HA ' HD22 ' A' ' 31' ' ' ASN . 72.1 t80 -55.87 -21.01 17.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.153 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.99 -56.8 11.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.319 0.581 . . . . 0.0 111.405 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' C ' ' H ' ' A' ' 32' ' ' MET . 10.9 t80 -83.38 -60.88 2.0 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.106 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.639 HD22 ' HA ' ' A' ' 28' ' ' PHE . 93.8 m-20 50.22 4.56 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.686 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.497 ' H ' ' C ' ' A' ' 30' ' ' PHE . 63.3 mmm -89.18 -7.16 56.19 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.057 0.455 . . . . 0.0 110.323 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -176.44 148.95 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.224 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.1 tp -138.94 147.66 42.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.012 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 t -117.94 159.74 22.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 111.62 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' HA ' ' HE ' ' A' ' 39' ' ' ARG . 47.3 ttp180 -61.86 -38.02 86.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.312 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.26 -23.81 66.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -83.45 -56.26 3.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.756 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 36' ' ' ARG . 82.2 mtm180 -52.72 -31.24 36.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -73.01 -57.15 4.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.77 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.93 -42.03 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.655 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -71.23 -21.81 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.338 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.13 -24.84 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.981 0.419 . . . . 0.0 111.103 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -82.07 -30.84 31.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 m -87.96 -30.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.365 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 23' ' ' GLU . 97.3 mt -93.43 0.31 56.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.98 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 58.36 34.94 24.46 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.959 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.471 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 24.0 mt -117.35 179.88 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.507 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 27.2 m -100.71 153.44 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.592 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -52.68 -34.48 52.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -80.12 -40.52 27.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.507 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 50.2 mt-30 -50.72 -38.05 45.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.257 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.4 t -53.04 -60.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.251 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -63.05 -38.45 91.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.71 -29.89 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.292 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -65.83 -57.3 8.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -59.63 -35.69 74.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.798 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.54 -48.2 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.494 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.499 ' HA ' ' HG3' ' A' ' 62' ' ' MET . 88.8 m-20 -59.36 -42.95 92.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.0 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -57.0 -26.05 59.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.776 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -83.49 -35.11 25.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.437 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.499 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 33.6 mtt -54.26 -47.3 72.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.038 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -53.99 -29.8 44.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.6 mmt -85.38 -22.42 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.49 11.97 20.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.688 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -77.54 0.35 23.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.481 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 91.7 mmm -59.55 -56.29 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.878 179.932 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.868 0.366 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -153.69 -63.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.591 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -114.4 -25.89 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.21 -49.19 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.045 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -99.4 -55.66 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.69 107.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.427 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -85.31 157.0 20.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.6 m -145.39 10.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.663 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 m -127.92 143.26 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 168.98 10.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -91.56 -33.72 15.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HD3' ' HG3' ' A' ' 15' ' ' PRO . 98.1 mttt 58.15 -169.73 0.12 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.283 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.59 ' HG3' ' H ' ' A' ' 14' ' ' CYS . 5.0 ptm180 -116.53 -80.34 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.087 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.59 ' H ' ' HG3' ' A' ' 13' ' ' ARG . 98.9 m -149.3 72.86 10.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HG3' ' HD3' ' A' ' 12' ' ' LYS . 74.5 Cg_endo -91.71 26.84 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.877 2.385 . . . . 0.0 112.964 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -69.61 -179.78 1.86 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.779 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.606 HG23 ' H ' ' A' ' 20' ' ' GLN . 14.0 t -87.87 -173.6 4.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.448 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -79.61 -34.1 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.7 -43.42 59.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.681 0.276 . . . . 0.0 111.503 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.637 ' HA ' HD11 ' A' ' 46' ' ' LEU . 49.5 mt-30 -54.91 -56.11 23.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 t -66.32 -22.16 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.468 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -42.9 99.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.413 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG3' HD13 ' A' ' 46' ' ' LEU . 15.4 mm-40 -78.66 -42.58 28.25 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 111.258 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 20' ' ' GLN . 11.1 mp -59.87 -43.57 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.457 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.68 -32.38 74.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.391 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -56.83 -52.36 65.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.62 -22.65 37.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.43 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 83.7 t80 -54.92 -21.3 11.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.382 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.73 -56.69 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 111.358 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.453 ' C ' ' H ' ' A' ' 32' ' ' MET . 14.9 t80 -81.23 -61.38 1.96 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.258 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.575 ' HB3' HH21 ' A' ' 61' ' ' ARG . 10.3 m120 48.11 9.4 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.644 -178.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.453 ' H ' ' C ' ' A' ' 30' ' ' PHE . 56.4 mmm -87.74 -5.86 58.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.973 0.416 . . . . 0.0 110.385 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.2 t80 178.82 153.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.098 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 tp -143.63 148.83 36.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.424 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.8 t -113.96 157.67 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.328 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG3' HH21 ' A' ' 39' ' ' ARG . 56.2 ttp180 -62.45 -37.97 87.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.512 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.76 -24.63 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.407 ' H ' HG23 ' A' ' 35' ' ' THR . 32.4 tpt180 -81.3 -55.65 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.424 HH21 ' HG3' ' A' ' 36' ' ' ARG . 33.1 mtm180 -50.8 -32.47 20.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -71.69 -59.15 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.924 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.31 -42.57 86.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.821 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 12.8 m -69.77 -22.07 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.5 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.96 -27.28 36.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.965 0.412 . . . . 0.0 110.743 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -75.72 -31.97 59.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.041 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.2 m -88.17 -31.68 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.473 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.637 HD11 ' HA ' ' A' ' 20' ' ' GLN . 1.8 tp -94.38 3.13 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.323 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 55.95 36.39 27.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.377 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.552 ' HG ' ' HB3' ' A' ' 46' ' ' LEU . 30.0 mt -114.3 179.41 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.864 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.504 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 16.9 m -97.28 151.93 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.739 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -53.27 -39.3 63.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.342 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -73.29 -42.14 62.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.394 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.504 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 27.6 mt-30 -55.44 -23.64 26.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.674 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' A' ' 39' ' ' ARG . 44.5 t -71.17 -62.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.743 0.306 . . . . 0.0 111.45 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -61.26 -43.03 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.729 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.81 -39.31 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.394 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.448 ' HE1' ' NH2' ' A' ' 60' ' ' ARG . 66.6 t-105 -56.39 -57.4 12.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.135 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -61.83 -30.83 71.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.42 -49.91 74.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -57.55 -44.72 85.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.448 ' NH2' ' HE1' ' A' ' 56' ' ' TRP . 70.1 mtt180 -55.92 -26.54 48.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.575 HH21 ' HB3' ' A' ' 31' ' ' ASN . 38.6 mmt180 -82.68 -31.94 28.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.997 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.7 mtp -65.43 -41.07 93.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.713 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 21.9 pttm -60.17 -31.25 69.94 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.778 0.323 . . . . 0.0 110.952 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 79.6 mtp -85.76 -12.2 51.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.623 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -105.99 5.1 30.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -105.77 -31.48 8.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 55.2 ttp -56.76 140.12 48.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.832 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.781 0.324 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.423 ' HB2' ' HB3' ' A' ' 5' ' ' HIS . 30.3 m-80 -91.14 18.81 6.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.756 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 72.7 t90 62.62 99.81 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.4 mm 58.58 61.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 2' ' ' ASN . 41.3 t60 -166.36 -58.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.912 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.51 109.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.238 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -136.91 -68.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -61.49 -30.11 70.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.8 p -130.09 169.64 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.373 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 63.46 168.75 0.15 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.19 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm 61.71 30.1 18.33 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -75.66 144.2 41.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -108.01 -74.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.474 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 72.9 m -144.81 60.21 7.07 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.03 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HD3' ' N ' ' A' ' 14' ' ' CYS . 72.5 Cg_endo -91.9 28.54 0.37 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.898 2.399 . . . . 0.0 112.817 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -93.27 151.53 19.74 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.362 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.785 HG23 ' H ' ' A' ' 20' ' ' GLN . 9.8 t -100.22 162.56 12.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -59.72 -33.02 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.815 -179.219 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -73.47 -51.45 17.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 0.0 111.755 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.785 ' H ' HG23 ' A' ' 17' ' ' THR . 13.4 pt20 -57.92 -36.61 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.555 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -80.22 -24.05 40.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -61.79 -37.62 85.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.005 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HB2' HD21 ' A' ' 46' ' ' LEU . 19.0 mm-40 -82.76 -46.59 12.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.339 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.95 -29.73 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.456 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.7 pt-20 -75.7 -33.45 60.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.639 0.257 . . . . 0.0 110.702 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -57.46 -40.6 78.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -86.6 -30.2 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.58 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -51.07 -22.34 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.326 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.95 -58.6 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 0.0 111.18 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -105.08 -55.9 2.25 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.195 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 38.11 28.31 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.662 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.6 mmt -81.36 -20.93 39.53 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.78 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -168.33 149.56 4.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.403 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HG2' ' A' ' 39' ' ' ARG . 12.0 tp -141.84 147.81 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.865 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -118.59 168.15 10.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -55.74 -30.51 61.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.323 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.49 -49.69 76.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.789 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.42 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 22.8 mmt180 -73.59 -50.4 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.416 ' HG2' HD23 ' A' ' 34' ' ' LEU . 52.3 mtp180 -47.89 -37.81 14.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.424 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -71.77 -59.04 2.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.113 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 10.9 pt-20 -55.73 -43.75 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 38' ' ' ARG . 6.3 m -71.59 -20.94 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.373 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.03 -28.8 32.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.986 0.422 . . . . 0.0 111.038 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -80.03 -28.47 39.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.418 HG23 ' HG ' ' A' ' 46' ' ' LEU . 14.6 m -88.2 -32.18 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.241 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 23' ' ' GLU . 94.5 mt -93.52 2.26 56.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.019 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 58.0 33.69 23.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.637 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.6 mt -114.35 179.11 4.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.833 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 53' ' ' VAL . 23.5 m -93.68 149.43 21.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -54.87 -35.29 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.314 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -81.11 -40.47 24.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.321 -179.646 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -57.04 -21.52 31.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.448 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 49' ' ' THR . 92.1 t -72.21 -59.81 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.693 0.283 . . . . 0.0 111.209 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -61.33 -37.3 82.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.058 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.428 HG22 ' ND2' ' A' ' 59' ' ' ASN . 80.8 mt -68.35 -29.25 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.961 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -62.96 -46.57 87.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -71.12 -40.38 71.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -57.85 -54.5 46.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.121 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.494 ' HA ' ' HE2' ' A' ' 62' ' ' MET . 95.1 m-20 -53.66 -46.9 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -56.44 -26.35 53.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.272 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -84.04 -45.22 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.658 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.494 ' HE2' ' HA ' ' A' ' 59' ' ' ASN . 40.2 mtm -51.53 -42.36 61.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.074 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' ' HG3' ' A' ' 64' ' ' MET . 11.2 ptmm? -58.65 -36.64 74.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.631 0.253 . . . . 0.0 111.09 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.406 ' HG3' ' HG3' ' A' ' 63' ' ' LYS . 68.9 mtm -85.23 -14.68 45.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -92.82 -15.45 26.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -73.84 -30.09 62.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 20.9 ptp -99.16 166.99 10.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.358 -0.83 . . . . 0.0 111.215 179.863 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -140.17 -65.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -153.87 94.72 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 4' ' ' ILE . 12.1 mm 56.83 17.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.131 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -87.5 -38.15 16.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.69 107.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.707 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 58.99 102.14 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.302 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.5 p -76.08 171.86 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 t -71.97 162.01 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 5.9 mmp_? -88.86 17.75 5.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.073 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -114.11 -67.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.702 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt 56.65 95.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.33 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -90.06 -72.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.573 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.3 m -149.66 67.72 8.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.768 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.13 19.62 1.34 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.438 2.092 . . . . 0.0 112.955 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -109.07 158.97 17.25 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.166 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.4 p -79.82 164.89 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.882 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.11 -17.89 64.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.545 178.795 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.21 -39.99 20.23 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -64.79 -37.42 87.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.274 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -82.31 -23.72 35.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.403 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -65.51 -42.22 92.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.233 -179.827 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.58 ' HB2' HD21 ' A' ' 46' ' ' LEU . 23.8 mm-40 -83.32 -46.12 12.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.694 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 28' ' ' PHE . 9.0 mp -61.35 -28.26 69.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 10.8 pt-20 -72.33 -34.71 68.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.772 0.32 . . . . 0.0 111.136 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.52 -39.55 94.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -86.17 -28.3 24.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 74.9 t80 -52.03 -22.35 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.71 -61.92 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.295 0.569 . . . . 0.0 110.847 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' O ' ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -105.64 -54.62 2.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.369 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 40.33 22.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.594 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 85.2 mmm -89.86 -13.83 35.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 110.828 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -173.42 148.91 1.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.566 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.4 mt -141.29 172.77 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.105 0.478 . . . . 0.0 111.554 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 38' ' ' ARG . 1.7 t -120.87 160.87 22.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -54.88 -36.74 65.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.06 -51.6 68.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.29 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.446 ' H ' HG23 ' A' ' 35' ' ' THR . 23.5 mmt180 -63.03 -54.69 34.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 39' ' ' ARG . 47.8 mtp180 -48.17 -35.67 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.384 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -73.93 -58.97 2.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 45' ' ' VAL . 12.6 pt-20 -55.63 -42.35 74.83 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 38' ' ' ARG . 5.3 m -73.21 -22.31 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.536 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.63 32.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.902 0.382 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -79.33 -28.26 42.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 41' ' ' GLU . 18.4 m -87.93 -34.17 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.362 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 23' ' ' GLU . 94.8 mt -90.66 1.75 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 60.02 31.37 20.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.7 mt -111.14 179.0 4.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.785 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.556 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 19.7 m -102.05 146.88 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.755 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -50.65 -34.74 27.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.282 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.53 -35.31 30.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.33 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.556 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 26.2 mm-40 -61.98 -22.01 65.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.743 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.54 -50.26 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 111.549 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -67.73 -30.56 70.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.607 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.7 mt -79.33 -32.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.631 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 9.0 t90 -61.63 -57.32 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.951 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -65.59 -35.82 81.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -57.73 -49.35 76.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.73 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -53.97 -46.58 71.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -57.57 -27.22 62.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -82.92 -41.6 18.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.495 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.9 mtm -54.08 -46.0 71.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.623 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.64 -29.42 69.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.735 0.302 . . . . 0.0 110.817 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.5 mtp -85.64 -15.95 40.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -83.54 -45.03 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.46 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 63' ' ' LYS . 22.3 pttp -71.25 -18.92 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.729 0.299 . . . . 0.0 111.215 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.48 ' HG3' ' HG3' ' A' ' 66' ' ' LYS . 85.3 mtp -116.43 112.55 21.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.225 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.86 179.882 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -161.38 -66.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -160.76 -23.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.9 pt -55.83 -32.56 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -157.85 9.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 130.28 43.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -117.33 129.65 56.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.5 p -169.18 105.49 0.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.794 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.5 p -119.21 103.75 9.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.442 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 59.4 108.22 0.02 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.47 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -107.99 -35.9 6.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.516 ' HG2' ' H ' ' A' ' 14' ' ' CYS . 41.7 ttmt -67.52 136.2 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.794 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -115.11 37.0 3.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.093 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.538 ' H ' ' HD3' ' A' ' 15' ' ' PRO . 73.9 m -93.72 -39.83 0.32 Allowed Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.172 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.538 ' HD3' ' H ' ' A' ' 14' ' ' CYS . 2.5 Cg_endo -85.6 29.51 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.647 2.231 . . . . 0.0 112.449 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -55.31 164.78 0.87 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.995 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 20' ' ' GLN . 6.2 t -98.78 168.87 9.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 3.8 mptp? -62.13 -27.18 68.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -71.66 -47.69 52.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.243 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.556 ' H ' HG23 ' A' ' 17' ' ' THR . 19.4 mm-40 -54.04 -56.95 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -64.83 -23.54 67.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.811 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -41.78 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.402 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.487 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.7 mm-40 -82.78 -42.48 17.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.501 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.24 -34.45 76.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.737 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.17 -32.77 70.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.662 0.268 . . . . 0.0 111.231 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -61.48 -42.36 98.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -86.62 -26.64 24.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.995 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -53.42 -21.74 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.134 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.2 mt -62.32 -56.68 16.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.186 0.517 . . . . 0.0 111.283 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 32' ' ' MET . 19.6 t80 -105.2 -55.84 2.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.984 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 34.71 28.17 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.821 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -98.84 -9.11 24.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.439 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.5 t80 175.87 128.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.398 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.7 mt -128.11 176.06 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.958 0.409 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.448 HG23 ' H ' ' A' ' 38' ' ' ARG . 9.7 t -120.0 168.83 10.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.656 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -60.05 -35.94 76.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.723 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.05 -39.22 91.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.361 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.448 ' H ' HG23 ' A' ' 35' ' ' THR . 12.9 mmt180 -76.15 -56.91 4.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.257 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.467 ' HD3' ' HD3' ' A' ' 54' ' ' LYS . 94.6 mtt180 -52.04 -30.35 25.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.45 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -76.53 -58.77 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.913 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 45' ' ' VAL . 11.7 pt-20 -54.04 -40.41 67.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.657 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 38' ' ' ARG . 11.9 m -73.59 -26.81 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.223 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.3 -26.2 33.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -76.55 -30.48 57.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.032 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 41' ' ' GLU . 12.5 m -87.96 -32.5 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.301 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 23' ' ' GLU . 95.9 mt -90.06 -0.63 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.761 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 58.8 32.19 21.97 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 26.5 mt -113.01 179.66 3.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.707 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 m -91.54 155.59 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.714 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.36 -37.28 82.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.528 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 62.4 mtt180 -85.76 -33.52 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.929 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -65.19 -30.79 71.72 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.87 -43.51 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.467 ' HD3' ' HD3' ' A' ' 39' ' ' ARG . 46.7 pttt -70.24 -47.5 61.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.574 0.226 . . . . 0.0 111.46 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.82 -29.56 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.148 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -63.63 -52.3 61.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.029 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -63.13 -41.41 99.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.277 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -53.2 -61.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.79 -46.33 87.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.553 ' HD3' ' HD3' ' A' ' 63' ' ' LYS . 23.3 tpp180 -55.96 -25.34 43.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.3 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -81.79 -47.7 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.372 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.5 mtp -51.06 -47.19 61.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.612 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HD3' ' HD3' ' A' ' 60' ' ' ARG . 22.2 ptmt -61.43 -34.52 75.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.033 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.3 mtm -80.41 -12.85 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.651 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -87.94 -30.88 19.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -112.46 17.5 19.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.7 mpt? 62.56 -82.87 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.453 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.902 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.653 0.263 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 60.46 17.61 7.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -138.23 -58.96 0.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.021 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 pt -117.22 -8.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.453 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -108.3 5.88 26.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.786 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.65 174.38 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.292 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -100.73 -156.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.673 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.1 p -49.9 139.0 14.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.797 0.332 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.0 p -59.45 122.24 13.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.311 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -105.21 -173.24 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -89.64 113.27 24.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' HB3' ' HB3' ' A' ' 15' ' ' PRO . 22.5 tptm -89.72 156.92 18.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -62.93 -59.08 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.6 m -129.41 75.35 80.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 74.3 Cg_endo -89.93 31.42 0.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.966 2.444 . . . . 0.0 112.613 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -54.9 155.94 4.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.499 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 20' ' ' GLN . 15.1 t -100.11 178.8 4.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.71 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -71.25 -33.75 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -66.75 -50.3 63.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.288 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.554 ' H ' HG23 ' A' ' 17' ' ' THR . 55.0 mt-30 -59.77 -51.52 69.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.596 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 17' ' ' THR . 9.9 t -63.24 -24.0 67.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.38 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -65.14 -49.69 68.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.041 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HB2' HD21 ' A' ' 46' ' ' LEU . 16.8 mm-40 -64.84 -43.51 92.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.304 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.31 -38.81 85.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.91 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 10.5 pt-20 -71.13 -30.55 66.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.646 0.26 . . . . 0.0 110.994 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -59.87 -46.92 87.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -83.82 -28.87 27.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -48.52 -21.96 0.66 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.599 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.9 mt -64.56 -59.7 4.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.265 0.555 . . . . 0.0 110.95 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' MET . 23.5 t80 -105.19 -58.08 1.94 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.908 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 35.72 25.7 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.777 -178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' PHE . 35.5 mtm -105.55 -3.22 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.013 0.435 . . . . 0.0 110.997 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -173.59 118.59 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.075 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.44 HD11 ' NE ' ' A' ' 39' ' ' ARG . 3.0 pp -143.82 -178.99 6.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.328 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 t -115.29 163.16 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.139 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -59.66 -35.12 73.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -60.8 -31.97 71.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 42' ' ' VAL . 10.3 mmt180 -67.93 -56.33 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NE ' HD11 ' A' ' 34' ' ' LEU . 93.2 mtt180 -52.91 -29.69 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.384 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -76.65 -59.03 2.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.621 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -54.75 -42.2 71.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.476 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 38' ' ' ARG . 10.5 m -71.21 -26.71 27.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.107 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.32 -25.71 33.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.01 0.433 . . . . 0.0 110.985 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.91 -32.22 63.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -88.38 -26.47 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.23 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 23' ' ' GLU . 88.5 mt -92.74 -2.08 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m120 59.66 32.83 21.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.165 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 22.1 mt -117.91 179.57 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 53' ' ' VAL . 27.3 m -101.79 147.07 26.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.701 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -50.29 -40.58 48.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.879 0.371 . . . . 0.0 111.007 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -65.36 -53.1 48.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -55.83 -25.93 44.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.538 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 49' ' ' THR . 70.3 t -72.88 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.707 0.289 . . . . 0.0 111.517 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.07 -45.25 91.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.775 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.2 mt -61.21 -33.18 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.535 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -61.34 -55.83 27.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.116 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -62.31 -43.98 97.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.438 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -53.65 -54.34 39.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.538 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -54.13 -45.49 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.253 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -59.18 -23.56 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.224 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -83.16 -45.77 13.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.315 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.3 mtp -51.33 -47.88 62.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.657 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -57.74 -34.11 69.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 62.1 mtt -77.86 -24.54 48.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.538 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 65' ' ' LYS . 4.0 mmmp? -82.76 0.65 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.754 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -84.6 -26.1 28.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.093 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -123.76 -31.51 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.054 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.329 -0.843 . . . . 0.0 110.926 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -155.02 -49.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.742 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -107.55 -22.65 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.731 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.34 -46.59 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.042 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -153.75 -6.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.73 -81.3 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.419 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -147.82 119.36 7.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -133.43 141.65 47.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.7 m -101.33 -13.97 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -99.76 154.42 18.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.114 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -76.8 151.5 35.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.832 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -167.14 32.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.66 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 62.1 23.53 13.9 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.596 ' H ' ' HD2' ' A' ' 15' ' ' PRO . 48.6 t -137.6 -49.8 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.536 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.596 ' HD2' ' H ' ' A' ' 14' ' ' CYS . 70.6 Cg_endo -87.53 29.38 0.48 Allowed 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.315 2.01 . . . . 0.0 112.264 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' HB2' ' HB2' ' A' ' 20' ' ' GLN . 3.3 p90 -57.38 164.06 2.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.475 HG23 ' H ' ' A' ' 20' ' ' GLN . 9.5 t -90.99 169.64 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -57.2 -30.57 64.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -67.91 -49.58 61.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.172 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.475 ' H ' HG23 ' A' ' 17' ' ' THR . 53.2 mt-30 -59.38 -53.19 60.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.458 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -63.07 -23.76 67.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.447 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -61.9 -47.94 82.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.608 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.6 mm-40 -73.18 -39.14 65.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.13 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.43 -35.25 80.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.42 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 11.9 pt-20 -78.04 -28.09 48.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.865 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 25.7 mmmt -59.67 -43.05 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.839 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -84.62 -34.69 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.565 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -48.64 -22.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.251 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.63 -61.37 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.209 0.528 . . . . 0.0 111.032 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -105.53 -55.15 2.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.269 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 34.9 30.99 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.685 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 89.8 mmm -76.45 -28.18 56.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.788 0.328 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -177.56 144.19 0.38 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.87 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.3 mt -143.87 178.99 7.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.031 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -120.14 166.05 13.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -56.78 -36.9 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.09 0.472 . . . . 0.0 110.481 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.0 -34.21 67.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.819 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' O ' HG13 ' A' ' 42' ' ' VAL . 15.3 mmt180 -77.39 -52.9 8.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.06 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -53.61 -30.1 41.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -74.29 -57.19 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.638 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.95 -46.02 85.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.583 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 38' ' ' ARG . 11.3 m -65.31 -25.82 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.487 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.99 -25.98 36.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -71.44 -34.96 70.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.793 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.4 m -88.02 -26.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.446 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 23' ' ' GLU . 81.2 mt -95.17 -2.44 49.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.221 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 58.36 32.45 22.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.487 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 28.8 mt -111.55 179.73 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.739 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.6 m -99.28 151.28 21.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -55.08 -35.16 64.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -85.79 -34.74 21.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -57.63 -39.26 76.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.617 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 54' ' ' LYS . 30.6 m -68.11 -44.24 84.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.749 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 53' ' ' VAL . 54.5 mtmt -66.46 -49.43 66.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.742 0.306 . . . . 0.0 110.785 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 98.2 mt -56.7 -27.85 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.466 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -63.6 -52.67 59.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.564 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -62.37 -39.4 93.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -48.95 -57.07 7.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.361 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -57.53 -44.46 85.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.242 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -56.42 -23.16 36.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.233 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -83.53 -47.15 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.942 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.5 mtp -51.57 -49.22 62.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.34 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -56.7 -32.68 65.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.966 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.0 mtt -80.88 -24.73 38.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.628 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -77.55 -11.57 59.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.601 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -116.13 -3.9 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.679 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 51.3 ttm 61.49 -83.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.993 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.7 t30 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.712 179.782 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.805 HG23 ' H ' ' A' ' 20' ' ' GLN . 11.1 t -101.06 159.85 14.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -67.4 -33.14 74.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.496 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.403 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 6.5 t80 -65.98 -45.15 82.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.981 0.42 . . . . 0.0 111.331 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.805 ' H ' HG23 ' A' ' 17' ' ' THR . 25.6 mt-30 -58.38 -57.51 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.312 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -62.47 -23.19 66.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.487 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -60.8 -53.77 53.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.191 -179.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HG3' HD13 ' A' ' 46' ' ' LEU . 13.0 mm-40 -67.07 -32.23 73.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.28 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.36 -39.9 81.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.385 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.52 -27.98 37.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.675 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -63.07 -40.09 96.66 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.71 -37.72 48.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.726 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -51.06 -23.23 2.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.476 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.49 -62.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.117 0.484 . . . . 0.0 112.098 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -105.01 -53.5 2.65 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.492 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -78.62 65.55 3.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.263 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 71.3 mtp -56.2 -33.16 65.05 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.333 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -101.72 163.41 12.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.307 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 39' ' ' ARG . 3.9 mm? -111.7 122.04 46.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 111.373 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -115.23 164.94 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -54.1 -35.09 61.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 111.078 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.02 -60.03 4.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 42' ' ' VAL . 31.7 mmt180 -62.79 -58.88 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.442 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' CZ ' ' HD3' ' A' ' 54' ' ' LYS . 59.3 mtp180 -41.47 -38.99 1.4 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.806 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -71.11 -59.31 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.93 -47.78 83.84 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 38' ' ' ARG . 10.1 m -62.63 -23.68 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 111.275 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -79.85 -24.69 41.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -79.78 -30.64 40.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.144 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.3 m -88.55 -29.73 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.27 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.544 ' HB3' ' HG ' ' A' ' 48' ' ' LEU . 2.0 tp -95.47 0.1 52.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.8 m120 57.47 36.65 27.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.634 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 46' ' ' LEU . 30.0 mt -114.37 179.03 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.823 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 25.8 m -93.81 149.48 21.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.647 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -50.77 -39.1 51.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -85.81 -31.33 22.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.445 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.513 ' HB2' ' HB ' ' A' ' 49' ' ' THR . 8.8 tt0 -55.57 -45.22 77.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.921 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -72.07 -40.11 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.44 ' HD3' ' CZ ' ' A' ' 39' ' ' ARG . 37.4 ttpt -63.96 -49.69 71.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.912 0.387 . . . . 0.0 110.83 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.455 HG22 ' ND2' ' A' ' 59' ' ' ASN . 77.2 mt -61.61 -27.42 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.812 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -62.15 -47.94 82.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.683 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -70.06 -42.43 72.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.828 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 62' ' ' MET . 36.0 tt0 -54.81 -57.57 11.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.174 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.455 ' ND2' HG22 ' A' ' 55' ' ' ILE . 92.8 m-20 -51.87 -47.93 64.27 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.371 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -52.35 -28.85 21.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -83.76 -43.24 15.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.45 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 37.1 mtp -54.05 -46.68 72.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.544 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.707 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.0 p90 . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.969 0.414 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 20' ' ' GLN . 15.2 t -100.99 170.16 8.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.051 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -66.1 -32.81 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.674 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -48.25 38.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.781 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.663 ' H ' HG23 ' A' ' 17' ' ' THR . 17.4 pt20 -62.65 -38.72 91.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.32 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -77.27 -23.69 51.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -63.23 -54.52 36.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.504 -179.73 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.619 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.8 mm-40 -67.24 -40.55 86.32 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.05 -36.75 80.4 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -80.73 -42.44 21.88 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -58.38 -31.22 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.7 pt-20 -87.87 -34.25 18.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.639 0.257 . . . . 0.0 111.623 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -55.98 -23.08 30.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.331 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.33 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -105.96 -50.21 3.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.061 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 27' ' ' GLU . 79.3 m-20 -75.27 63.91 1.42 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.913 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.7 mtt -70.46 -21.21 62.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.097 0.475 . . . . 0.0 110.279 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -148.3 124.57 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.199 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 38' ' ' ARG . 96.1 mt -127.02 -179.67 4.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.078 0.466 . . . . 0.0 111.698 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -101.57 177.53 4.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.13 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -35.43 72.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -60.99 -53.24 59.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.54 ' HB3' HD13 ' A' ' 34' ' ' LEU . 6.0 mmt180 -62.89 -45.09 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.057 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -57.73 -25.68 60.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.449 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 83.9 t80 -76.02 -58.52 3.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.542 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.78 -41.09 70.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.323 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 m -71.86 -25.03 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.85 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.29 -25.52 33.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.632 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -74.28 -30.82 62.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.689 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 m -88.36 -27.58 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.619 HD21 ' HB2' ' A' ' 23' ' ' GLU . 64.2 mt -92.81 -4.73 52.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 58.89 31.94 21.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.639 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 28.6 mt -113.42 179.42 3.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.75 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.516 ' H ' HE21 ' A' ' 52' ' ' GLN . 20.6 m -95.2 144.96 25.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 40' ' ' TYR . 43.6 mt-10 -52.96 -41.29 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.032 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 8.8 mpt_? -76.52 -33.24 58.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.516 HE21 ' H ' ' A' ' 49' ' ' THR . 9.5 tt0 -64.88 -26.41 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.348 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.1 t -76.04 -51.8 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.706 0.288 . . . . 0.0 111.451 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HB2' ' NZ ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -63.4 -45.05 92.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.411 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.3 mt -63.07 -32.59 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.261 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -61.9 -52.46 64.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.034 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -67.46 -36.75 81.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -58.26 -44.82 88.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.665 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -58.44 -45.76 87.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 97.6 mtt180 -61.34 -21.68 64.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.093 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -82.8 -30.16 29.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.3 mtp -69.29 -41.67 76.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.488 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 62.3 pttt . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.726 0.298 . . . . 0.0 110.807 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.2 p90 . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 121.22 0.533 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -99.82 -176.53 3.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.124 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -82.34 -20.52 37.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.482 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -82.94 -43.52 16.38 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.046 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.579 ' HA ' HD22 ' A' ' 46' ' ' LEU . 80.3 mt-30 -59.65 -40.13 86.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.962 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -80.34 -23.64 40.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -62.08 -42.32 99.09 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.858 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.496 ' HB2' HD11 ' A' ' 46' ' ' LEU . 18.1 mm-40 -78.5 -44.11 25.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.362 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.91 -34.22 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.425 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.8 -28.55 50.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.552 0.215 . . . . 0.0 111.221 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 8.2 mmmm -56.86 -45.23 82.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -86.13 -28.56 23.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.485 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 65.3 t80 -53.39 -21.12 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.996 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -62.13 -57.64 10.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.273 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.35 -55.61 2.3 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.619 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.485 ' OD1' ' HA ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER 45.14 17.14 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.288 -178.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.5 mmt -65.32 -9.78 27.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 0.0 110.653 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -179.59 147.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.107 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.479 HD23 ' HE ' ' A' ' 39' ' ' ARG . 10.8 tp -135.8 144.05 45.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.1 t -120.33 161.58 20.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.317 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.84 -39.17 80.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.303 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.44 -29.44 67.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.672 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.411 ' H ' HG23 ' A' ' 35' ' ' THR . 25.1 tpp180 -79.92 -51.36 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.395 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.479 ' HE ' HD23 ' A' ' 34' ' ' LEU . 86.0 mtt180 -54.43 -28.73 46.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.11 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -73.31 -58.44 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.652 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -57.54 -44.2 85.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.692 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.35 -25.52 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.802 0.334 . . . . 0.0 111.074 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.2 -28.25 38.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -72.8 -32.3 65.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -88.04 -31.35 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.247 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 20' ' ' GLN . 57.4 mt -90.21 -3.35 57.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 57.5 33.99 24.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.421 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 24.7 mt -115.04 179.35 3.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.803 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 m -94.57 148.32 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.514 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 2.0 mp0 -53.24 -52.34 59.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 0.0 110.714 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -62.83 -38.84 92.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.729 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -52.21 -40.17 61.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.1 t -61.54 -47.57 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -63.68 -54.81 29.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.3 mt -52.87 -34.72 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.886 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -60.29 -56.26 23.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -64.38 -26.58 68.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 62' ' ' MET . 16.2 tp60 -61.5 -53.52 55.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -57.44 -43.14 83.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.505 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -61.07 -22.42 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.619 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -83.25 -39.17 21.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.83 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 35.3 mtt -53.45 -47.26 69.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.533 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.666 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.5 p90 . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.749 0.309 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.519 HG22 HE21 ' A' ' 20' ' ' GLN . 14.8 t -99.88 168.73 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.057 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -61.75 -27.14 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.289 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -75.03 -42.02 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.324 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.519 HE21 HG22 ' A' ' 17' ' ' THR . 44.5 mt-30 -59.97 -57.58 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -61.45 -23.75 66.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.485 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -65.32 -51.7 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.572 -179.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.667 ' HB2' HD21 ' A' ' 46' ' ' LEU . 18.9 mm-40 -74.37 -34.69 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.81 -32.54 73.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.805 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.1 pt-20 -80.51 -35.95 33.92 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.388 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 72.8 mmtt -58.76 -37.39 76.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.684 0.278 . . . . 0.0 111.184 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -84.44 -21.85 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -65.67 -22.76 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.58 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.42 -58.58 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.22 0.534 . . . . 0.0 111.156 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -77.28 -55.55 5.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.188 -179.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.463 HD22 ' HA ' ' A' ' 31' ' ' ASN . 3.3 m120 48.08 25.56 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.71 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.434 ' O ' ' HB3' ' A' ' 33' ' ' TYR . 4.6 mmt -79.37 14.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.599 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 32' ' ' MET . 76.8 t80 72.24 86.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.96 -179.96 1.33 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.741 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.9 t -106.88 175.83 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -58.58 -32.53 69.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.357 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -57.37 -41.97 81.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.716 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -75.35 -50.46 15.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.05 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -51.76 -31.55 27.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -72.06 -59.13 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.666 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.4 -43.56 83.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.756 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 m -69.72 -21.64 24.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.709 0.29 . . . . 0.0 111.275 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -81.93 -26.59 33.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 110.786 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -73.61 -35.16 65.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.72 -26.03 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.975 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 23' ' ' GLU . 50.6 mt -94.57 -4.18 48.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.825 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 59.49 32.85 21.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.972 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 22.3 mt -117.1 179.74 3.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.78 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 51' ' ' ARG . 21.6 m -97.91 149.76 22.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.63 -34.02 61.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.936 0.398 . . . . 0.0 111.083 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.413 ' H ' HG22 ' A' ' 49' ' ' THR . 33.1 mmt180 -79.75 -53.41 6.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.339 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -44.93 -51.14 10.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.999 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.56 -40.16 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.686 0.279 . . . . 0.0 111.603 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -64.95 -62.29 1.65 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 111.041 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.0 mt -53.3 -31.7 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.394 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -60.88 -46.15 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -74.76 -33.06 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.986 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -54.6 -58.02 9.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.929 0.395 . . . . 0.0 110.943 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -64.88 -42.13 95.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.563 ' HD3' ' HD3' ' A' ' 63' ' ' LYS . 6.1 tpp180 -52.16 -24.74 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.188 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -82.75 -50.17 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.027 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.5 mtp -58.7 -45.19 90.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.761 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.563 ' HD3' ' HD3' ' A' ' 60' ' ' ARG . 22.3 ptmt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.158 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.5 p90 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.924 0.392 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.615 HG23 ' H ' ' A' ' 20' ' ' GLN . 15.1 t -100.08 179.14 4.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -74.07 -26.52 60.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.28 -38.09 51.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.592 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.615 ' H ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -64.51 -38.7 91.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.997 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -82.08 -23.21 35.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -64.01 -46.33 85.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.584 ' HB2' HD21 ' A' ' 46' ' ' LEU . 20.0 mm-40 -73.47 -41.23 63.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.349 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.38 -32.41 74.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.753 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.4 pt-20 -80.95 -33.45 33.96 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.224 -0.191 . . . . 0.0 111.374 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 37.4 mmtm -57.16 -42.07 80.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.297 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -84.56 -33.45 23.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -51.86 -22.5 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.084 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.13 -60.23 3.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 111.418 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -104.96 -52.45 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.666 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 p30 36.39 43.07 0.22 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.751 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -59.02 -38.74 79.97 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.205 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -168.05 141.05 3.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -107.36 117.72 34.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -113.88 171.88 7.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.699 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -56.56 -28.07 59.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.185 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.6 -54.65 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -66.68 -55.05 16.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.28 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -49.15 -34.51 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.885 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -73.0 -59.43 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.43 -42.93 71.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.558 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 m -72.06 -20.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.321 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.35 -27.89 34.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.386 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -76.14 -32.61 59.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.1 m -87.74 -30.63 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.394 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.584 HD21 ' HB2' ' A' ' 23' ' ' GLU . 81.5 mt -93.49 -3.21 53.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.37 37.75 28.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.013 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD22 HE22 ' A' ' 52' ' ' GLN . 31.1 mt -114.13 178.55 4.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.072 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.455 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 22.7 m -85.56 152.02 23.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.676 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.01 -36.22 70.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -85.52 -31.52 22.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.409 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.523 HE22 HD22 ' A' ' 48' ' ' LEU . 51.3 tt0 -52.7 -30.95 35.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.384 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.01 -61.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.683 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -62.22 -34.79 77.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.653 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.61 -30.88 50.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.83 0.348 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.16 -51.44 61.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -67.7 -38.58 83.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -58.33 -49.43 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -55.42 -46.05 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.977 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -62.22 -21.95 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -83.72 -37.1 23.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.1 mtm -55.63 -46.53 77.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.255 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.561 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.407 ' HA ' ' NE2' ' A' ' 20' ' ' GLN . 29.9 p90 . . . . . 0 N--CA 1.447 -0.622 0 CA-C-O 120.885 0.374 . . . . 0.0 111.482 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.629 ' H ' ' NE2' ' A' ' 20' ' ' GLN . 25.1 p -95.52 169.12 10.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.15 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -74.6 -19.9 60.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.58 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -83.28 -47.77 11.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.092 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.629 ' NE2' ' H ' ' A' ' 17' ' ' THR . 8.5 pt20 -62.53 -33.52 75.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.166 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 17' ' ' THR . 12.3 t -82.3 -25.28 34.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.096 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -62.32 -39.49 93.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.4 mm-40 -82.99 -46.28 13.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.339 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.09 -26.11 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.549 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 11.2 pt-20 -80.43 -33.73 36.68 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 71.2 mmtt -55.67 -40.39 72.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.932 0.396 . . . . 0.0 110.512 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -84.95 -35.35 22.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.526 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -50.16 -21.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.332 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.49 -59.78 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.245 0.545 . . . . 0.0 111.007 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -105.18 -55.69 2.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.037 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 p30 39.2 22.91 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.918 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.4 mtp -92.18 -13.43 30.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.176 0.512 . . . . 0.0 110.354 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -152.78 132.78 13.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.546 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.521 HD23 ' HE ' ' A' ' 39' ' ' ARG . 10.8 tp -141.61 143.46 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.808 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 38' ' ' ARG . 9.9 t -120.28 171.64 8.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -63.15 -35.43 80.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.73 -39.25 90.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.344 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' H ' HG23 ' A' ' 35' ' ' THR . 22.6 tpp180 -72.16 -48.92 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.745 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HE ' HD23 ' A' ' 34' ' ' LEU . 94.5 mtt180 -54.69 -31.07 57.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.547 ' HA ' ' HG3' ' A' ' 50' ' ' GLU . 69.2 t80 -74.37 -59.12 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.928 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.82 -41.39 67.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.603 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 m -74.02 -22.78 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.282 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.34 -28.73 31.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HA ' ' HE ' ' A' ' 44' ' ' ARG . 2.7 mmp_? -76.47 -29.86 57.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 m -87.72 -33.26 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.429 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 23' ' ' GLU . 74.6 mt -89.33 1.13 56.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.6 m120 58.47 32.19 21.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.1 mt -114.76 179.07 4.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.44 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 15.7 m -95.74 147.53 23.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.656 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.547 ' HG3' ' HA ' ' A' ' 40' ' ' TYR . 2.4 mp0 -56.51 -36.34 69.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.485 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 8.9 mpt_? -73.94 -41.18 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.068 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.44 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 18.7 mm-40 -57.03 -23.82 49.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 49' ' ' THR . 70.4 t -69.24 -62.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.554 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 51' ' ' ARG . 50.3 pttt -62.0 -46.2 90.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.689 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.9 mt -55.89 -35.03 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.152 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -60.79 -53.53 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.542 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.92 -32.31 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.477 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 62' ' ' MET . 68.8 mt-30 -58.04 -50.93 71.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.061 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -54.14 -43.64 70.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.05 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 71.4 mtt180 -63.11 -23.14 67.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.187 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -84.41 -42.79 15.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.864 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 17.4 ptm -83.79 -12.31 55.85 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.771 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.0 p90 . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 20' ' ' GLN . 10.2 t -100.58 167.37 10.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 3.8 mptp? -66.42 -28.66 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.759 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -67.97 -44.9 75.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.657 ' H ' HG23 ' A' ' 17' ' ' THR . 67.4 mt-30 -55.8 -55.5 31.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.174 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -68.31 -22.22 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -49.48 77.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.453 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.605 ' HB2' HD21 ' A' ' 46' ' ' LEU . 13.9 mm-40 -70.47 -40.02 73.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.838 0.351 . . . . 0.0 111.496 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.82 -32.46 73.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.914 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.41 -39.33 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.625 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -57.17 -37.11 71.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.499 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -83.32 -34.99 25.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.744 0.306 . . . . 0.0 111.361 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -52.53 -22.8 5.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.543 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 mt -75.73 -62.68 1.5 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.135 0.493 . . . . 0.0 111.938 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -105.47 -56.17 2.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.806 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -77.98 64.78 3.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.665 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.4 mtt -61.76 -28.62 69.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -129.85 113.15 14.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.285 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.9 mt -89.11 175.99 7.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.174 0.511 . . . . 0.0 111.809 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 37' ' ' ASP . 12.4 t -120.08 -176.55 3.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.534 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -58.95 -38.35 78.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 110.578 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.412 ' H ' HG23 ' A' ' 35' ' ' THR . 11.5 m-20 -65.54 -57.18 8.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 42' ' ' VAL . 18.4 mmt180 -56.92 -49.05 76.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -52.09 -31.93 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.41 -58.62 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.445 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -57.56 -45.81 84.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.581 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 38' ' ' ARG . 13.0 m -66.09 -23.54 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.72 0.295 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.38 -25.0 34.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -77.5 -32.82 54.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -87.77 -25.89 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.305 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 20' ' ' GLN . 46.6 mt -95.55 -5.28 43.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.39 33.62 22.46 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.802 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.444 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.2 mt -115.47 179.11 4.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.488 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 44.6 m -91.85 145.61 24.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.36 -55.47 21.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 70.1 mtm180 -62.14 -34.6 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.958 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.488 ' HB2' ' HB ' ' A' ' 49' ' ' THR . 53.1 tt0 -58.0 -31.78 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.2 t -59.9 -60.49 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.334 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 51' ' ' ARG . 61.4 pttt -62.73 -38.16 89.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.306 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.3 mt -67.63 -27.94 40.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -66.95 -51.41 55.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.76 -39.4 87.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.1 -54.08 50.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.69 -47.21 73.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -57.07 -25.49 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -82.97 -35.32 26.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.1 mtp -57.47 -49.88 74.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 pttt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 120.852 0.358 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.782 HG23 ' H ' ' A' ' 20' ' ' GLN . 7.1 t -100.6 167.36 10.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.757 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -70.04 -31.54 69.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 -179.71 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -69.34 -49.64 53.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.382 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.782 ' H ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -54.74 -56.27 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.237 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -63.4 -24.46 67.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.692 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -41.96 99.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.461 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.614 ' HB2' HD21 ' A' ' 46' ' ' LEU . 18.6 mm-40 -83.27 -46.82 12.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.567 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.27 -34.26 70.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.845 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.72 -32.92 73.06 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.157 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.29 -45.71 92.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -83.94 -27.27 28.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.353 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -53.67 -22.01 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -62.48 -59.13 5.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.47 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -104.81 -53.76 2.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.883 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 p30 37.58 27.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.778 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.7 mmm -81.11 -22.71 38.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.789 0.328 . . . . 0.0 110.581 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.7 t80 175.61 140.21 0.06 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.379 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.1 mt -132.39 174.53 10.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 111.16 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 t -117.23 163.65 15.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.942 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -57.46 -27.09 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.93 -45.64 88.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -77.68 -51.43 10.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' NH2' ' HD3' ' A' ' 51' ' ' ARG . 60.9 mtp180 -51.88 -29.84 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.3 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.441 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 39.9 t80 -77.12 -56.86 4.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.64 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.53 -42.55 83.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.592 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 m -70.55 -25.16 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.25 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.16 -27.85 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -75.63 -30.65 59.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.164 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 m -88.19 -30.42 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.452 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 23' ' ' GLU . 95.3 mt -91.68 2.58 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.011 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' A' ' 47' ' ' ASN . 2.6 t-20 59.17 30.79 20.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.221 0.534 . . . . 0.0 110.711 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 27.8 mt -113.51 179.59 3.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.745 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -106.42 149.28 27.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 40' ' ' TYR . 37.9 mt-10 -50.81 -32.22 19.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.869 0.366 . . . . 0.0 111.342 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HD3' ' NH2' ' A' ' 39' ' ' ARG . 31.1 mmt180 -84.99 -51.98 6.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.235 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -47.46 -45.91 26.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.343 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.1 -42.49 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -66.96 -52.72 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.616 0.246 . . . . 0.0 110.879 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.468 ' HA ' HE21 ' A' ' 58' ' ' GLN . 81.1 mt -59.83 -28.16 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.083 0.468 . . . . 0.0 110.513 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -58.17 -53.96 52.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -68.34 -39.37 81.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.468 HE21 ' HA ' ' A' ' 55' ' ' ILE . 45.7 mt-30 -52.27 -53.74 40.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -55.69 -46.38 77.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -54.45 -24.17 19.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.314 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 2.0 mmp_? -82.66 -45.73 14.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.537 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 36.4 mtp -50.6 -52.3 40.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.016 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.491 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.192 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.4 p90 . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 121.053 0.454 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.464 ' O ' HG22 ' A' ' 21' ' ' THR . 10.3 t -100.14 174.82 5.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.72 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -63.07 -29.63 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -70.96 -50.14 37.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.573 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.442 ' H ' HG23 ' A' ' 17' ' ' THR . 15.9 mm100 -57.65 -51.62 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.309 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 17' ' ' THR . 8.8 t -66.14 -24.71 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.676 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -61.91 -51.36 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.143 -179.574 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.57 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.5 mm-40 -67.04 -43.16 83.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.507 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.57 -40.32 96.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.793 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.3 pt-20 -74.38 -27.37 60.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.673 0.273 . . . . 0.0 110.692 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -59.32 -40.26 85.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.833 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.54 -20.02 32.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.564 ' HA ' HD21 ' A' ' 31' ' ' ASN . 58.3 t80 -64.92 -23.14 67.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.972 0.415 . . . . 0.0 110.817 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.64 -60.98 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.593 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -54.23 11.92 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.755 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.564 HD21 ' HA ' ' A' ' 28' ' ' PHE . 9.5 m120 61.49 15.18 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.11 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 mmm -78.13 7.75 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.1 t80 70.48 105.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 38' ' ' ARG . 2.6 pt? -61.59 -178.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.618 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 t -119.96 178.87 4.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.13 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -56.16 -39.07 71.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.947 0.403 . . . . 0.0 110.597 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.61 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.589 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 24.4 mmt180 -60.97 -47.86 84.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.673 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -51.49 -30.49 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -77.34 -55.33 5.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.106 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 12.0 pt-20 -61.92 -44.88 95.86 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 38' ' ' ARG . 5.7 m -67.73 -28.6 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.592 0.234 . . . . 0.0 111.524 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -78.75 -27.35 44.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -72.19 -31.44 65.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.9 m -88.15 -26.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.034 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 23' ' ' GLU . 91.4 mt -92.86 -8.57 43.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.037 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.7 t30 61.18 34.22 18.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.704 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.6 mt -119.81 179.2 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.714 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.495 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 22.3 m -90.56 149.06 22.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.714 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -55.14 -35.02 64.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.218 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' H ' HG22 ' A' ' 49' ' ' THR . 98.6 mtt180 -76.58 -33.64 58.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.363 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 28.8 mm-40 -62.4 -28.84 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.437 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.0 t -72.71 -53.41 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.462 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -62.93 -43.46 98.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.461 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.98 -27.94 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.147 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -65.14 -56.7 11.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.99 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -63.08 -35.13 79.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.165 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 62' ' ' MET . 34.8 tt0 -59.68 -55.57 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.812 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -51.36 -45.47 62.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.252 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -60.0 -25.57 65.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -83.89 -60.39 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.445 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 8.2 ptp -59.5 -29.63 67.99 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.367 . . . . 0.0 110.52 -179.724 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 20' ' ' GLN . 8.9 t -86.89 166.32 15.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.38 -34.0 68.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.458 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -69.3 -50.87 42.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.289 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.607 ' H ' HG23 ' A' ' 17' ' ' THR . 25.8 mt-30 -55.32 -45.41 76.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.321 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -74.28 -23.44 59.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.347 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -37.82 83.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.602 ' HB2' HD21 ' A' ' 46' ' ' LEU . 17.9 mm-40 -81.71 -46.35 14.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.981 0.419 . . . . 0.0 111.157 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 20' ' ' GLN . 11.0 mp -61.46 -30.94 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.81 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.92 -30.17 62.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.629 0.252 . . . . 0.0 110.891 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -61.07 -44.53 97.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.641 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -83.74 -31.2 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -50.2 -22.23 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.97 -62.11 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 0.0 111.266 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -106.35 -53.41 2.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.244 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 p30 37.5 29.12 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.482 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 90.8 mmm -77.03 -26.49 53.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -171.81 143.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.564 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.0 mt -134.42 173.52 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.262 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 38' ' ' ARG . 9.6 t -120.34 171.25 8.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.128 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -63.05 -36.98 85.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.501 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -59.47 -36.84 76.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' O ' HG22 ' A' ' 42' ' ' VAL . 16.4 mmt180 -68.97 -52.93 23.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.189 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -51.98 -33.59 38.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -74.38 -58.92 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.06 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 45' ' ' VAL . 12.1 pt-20 -54.51 -43.39 71.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.678 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 38' ' ' ARG . 11.4 m -71.49 -22.59 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.727 0.298 . . . . 0.0 111.112 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.04 -26.85 33.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.906 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -80.01 -30.17 39.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.107 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 41' ' ' GLU . 11.1 m -88.04 -33.3 6.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.279 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.602 HD21 ' HB2' ' A' ' 23' ' ' GLU . 95.2 mt -89.0 1.96 54.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.3 t30 59.44 31.96 21.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.049 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.449 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.2 mt -116.78 179.6 3.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.556 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 10.4 m -101.04 157.36 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.555 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.03 -33.65 57.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -83.33 -28.61 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.556 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 16.0 mm100 -66.83 -37.45 84.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.7 -39.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.03 -48.63 73.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.6 -27.33 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.703 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -60.77 -57.29 13.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -65.42 -33.81 76.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.601 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 62' ' ' MET . 48.8 tp60 -59.35 -46.78 87.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.73 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -58.67 -45.52 89.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.773 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 40.9 mmt180 -60.63 -21.93 63.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.649 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -81.81 -40.82 21.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 33.7 mtt -54.87 -44.4 74.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.3 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 56.9 pttt . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.802 0.334 . . . . 0.0 110.819 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.2 p90 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.107 0.48 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 20' ' ' GLN . 8.9 t -99.8 172.52 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.597 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -61.97 -32.22 72.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.652 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -72.05 -52.71 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.496 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.545 ' H ' HG23 ' A' ' 17' ' ' THR . 26.3 mt-30 -55.88 -40.65 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.363 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 17' ' ' THR . 12.2 t -78.18 -23.79 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.31 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -58.86 -43.52 90.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.89 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HB2' HD11 ' A' ' 46' ' ' LEU . 24.0 mm-40 -79.49 -42.79 24.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.37 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.61 -28.73 70.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.649 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 12.0 pt-20 -80.8 -42.53 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.39 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 22' ' ' LEU . 28.7 mtpp -50.93 -38.44 50.24 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.641 0.257 . . . . 0.0 111.213 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.55 -36.5 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.597 ' HA ' HD21 ' A' ' 31' ' ' ASN . 80.1 t80 -51.94 -22.01 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.789 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 25' ' ' GLU . 18.6 mt -61.57 -61.81 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.09 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.524 ' HB3' ' HG3' ' A' ' 32' ' ' MET . 0.1 OUTLIER -105.69 -47.58 3.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.597 HD21 ' HA ' ' A' ' 28' ' ' PHE . 11.7 m120 53.5 34.27 17.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.071 -177.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.524 ' HG3' ' HB3' ' A' ' 30' ' ' PHE . 74.3 mtp -42.31 -37.19 1.45 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.759 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 32' ' ' MET . 75.7 t80 178.08 143.51 0.11 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.741 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.24 115.03 28.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.4 t -117.72 163.84 15.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.247 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.27 -40.68 82.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.625 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -63.47 -26.6 68.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.975 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' H ' HG23 ' A' ' 35' ' ' THR . 31.7 tpt180 -82.45 -52.14 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -58.25 -28.3 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.898 0.38 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -74.79 -56.93 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.467 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.84 -41.46 77.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.449 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 38' ' ' ARG . 14.2 m -72.19 -22.54 21.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.079 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.15 -28.05 32.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.494 ' HA ' ' NE ' ' A' ' 44' ' ' ARG . 4.8 mmp_? -74.66 -31.82 62.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.97 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.3 m -88.11 -29.55 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.091 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 23' ' ' GLU . 82.7 mt -93.67 -3.09 53.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.27 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 57.73 34.28 24.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.803 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 28.5 mt -114.43 179.32 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.448 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 12.3 m -92.04 153.84 19.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -61.95 -33.74 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.472 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 1.5 mmp_? -82.53 -25.97 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.53 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 76.1 mt-30 -69.5 -41.67 75.78 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.0 m -63.71 -42.86 97.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 19.7 ptmt -69.57 -51.63 33.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.161 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.414 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 96.1 mt -59.35 -26.89 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 110.639 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.27 -51.44 66.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.641 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -65.05 -39.63 93.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.793 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -54.56 -61.09 2.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.93 -44.33 97.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.797 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -57.57 -21.98 42.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.743 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -83.32 -40.87 18.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.8 mtm -56.0 -46.3 78.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.731 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.2 pttt . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 0.0 110.793 -179.807 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 p90 . . . . . 0 N--CA 1.447 -0.607 0 CA-C-O 120.794 0.33 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.738 HG23 ' H ' ' A' ' 20' ' ' GLN . 6.3 t -100.02 161.74 13.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 4.1 mptp? -62.32 -26.09 68.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.582 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.99 -56.58 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.422 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.738 ' H ' HG23 ' A' ' 17' ' ' THR . 13.9 mm100 -49.84 -48.93 50.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.954 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -72.6 -24.24 61.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -42.66 70.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.647 0.261 . . . . 0.0 111.631 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.579 ' HB2' HD21 ' A' ' 46' ' ' LEU . 9.3 mm-40 -81.77 -41.39 21.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.15 -31.76 72.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.91 -26.29 63.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.045 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -70.69 -42.73 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.239 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.04 -26.85 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.202 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -53.42 -22.03 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.43 -59.59 5.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.4 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.413 ' O ' ' HG2' ' A' ' 32' ' ' MET . 3.5 t80 -105.26 -52.98 2.74 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.164 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.7 p30 37.65 27.41 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.656 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 20.1 mmt -88.92 -15.35 34.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -177.26 144.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.437 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD11 ' HG2' ' A' ' 38' ' ' ARG . 10.1 tp -143.8 159.0 43.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.993 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.8 t -104.59 158.22 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.24 -37.35 77.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.01 -35.68 71.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.216 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.526 ' HG2' HD11 ' A' ' 34' ' ' LEU . 19.3 tpt180 -78.9 -44.34 22.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.801 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' CZ ' ' HD3' ' A' ' 54' ' ' LYS . 75.6 mtt180 -56.93 -28.76 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.535 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.06 -57.38 4.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.216 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.52 -44.13 89.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.634 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 38' ' ' ARG . 13.0 m -67.57 -23.72 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 111.217 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.26 -26.34 33.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -76.16 -31.2 58.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.073 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 m -87.88 -33.91 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.434 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.579 HD21 ' HB2' ' A' ' 23' ' ' GLU . 77.0 mt -87.63 -1.27 57.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.988 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 m120 59.17 32.43 22.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.446 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 19.5 mt -115.62 179.51 3.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.569 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.527 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 17.6 m -101.24 150.27 23.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.537 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.43 -47.56 63.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.53 ' HD2' ' HZ1' ' A' ' 54' ' ' LYS . 15.0 mmm180 -64.51 -40.28 95.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.201 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.527 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 83.0 mm-40 -54.63 -35.7 63.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.335 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.41 -55.67 22.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.338 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HZ1' ' HD2' ' A' ' 51' ' ' ARG . 36.2 mtmm -62.09 -53.72 51.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.339 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.7 mt -55.14 -34.31 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.516 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 52.6 t90 -56.63 -57.67 11.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 110.639 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -68.22 -27.21 66.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.001 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -57.28 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.74 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.481 ' HA ' ' HG3' ' A' ' 62' ' ' MET . 48.8 m-80 -56.68 -43.39 80.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -53.31 -31.17 42.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.245 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -83.15 -33.15 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.497 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.481 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 37.4 mtp -55.4 -45.58 76.66 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttm . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.762 0.315 . . . . 0.0 110.776 -179.509 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.994 0.426 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.672 HG23 ' H ' ' A' ' 20' ' ' GLN . 13.9 t -101.44 -176.79 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -81.98 -30.68 31.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -70.95 -43.74 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.672 ' H ' HG23 ' A' ' 17' ' ' THR . 12.4 mm100 -59.33 -57.15 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -62.09 -23.75 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.469 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -61.81 -44.08 97.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.625 ' HB2' HD21 ' A' ' 46' ' ' LEU . 16.9 mm-40 -77.58 -40.67 41.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.918 0.39 . . . . 0.0 111.371 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.38 -32.75 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.461 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.95 -29.36 43.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.991 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 29.9 mmmt -57.13 -42.89 81.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.756 0.313 . . . . 0.0 110.5 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -82.77 -32.86 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.511 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -51.38 -22.05 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.123 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.88 -59.27 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.151 0.5 . . . . 0.0 111.638 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -103.94 -54.46 2.55 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.445 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 p30 36.08 32.89 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.189 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.4 mmt -82.48 -21.27 35.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 111.081 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -171.06 117.89 0.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.667 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.482 HD23 ' HE ' ' A' ' 39' ' ' ARG . 13.6 tp -104.06 145.93 29.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t -120.15 160.45 22.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.182 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -58.16 -36.89 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -61.6 -32.61 72.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.447 ' O ' HG13 ' A' ' 42' ' ' VAL . 22.0 tpt180 -80.96 -45.73 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.804 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.482 ' HE ' HD23 ' A' ' 34' ' ' LEU . 81.2 mtt180 -56.77 -29.6 62.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.667 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -72.95 -59.01 2.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.746 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -56.25 -43.66 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.498 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 38' ' ' ARG . 10.4 m -70.39 -21.4 23.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.739 0.304 . . . . 0.0 111.208 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.03 -29.05 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.753 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -74.35 -30.52 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.943 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.6 m -88.07 -31.23 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.591 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 23' ' ' GLU . 86.3 mt -90.32 0.37 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.259 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 59.87 29.99 19.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.068 0.461 . . . . 0.0 110.658 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.7 mt -114.66 179.54 3.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.711 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 53' ' ' VAL . 28.2 m -104.2 148.55 26.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.62 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -48.42 -35.85 13.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.051 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -77.28 -51.28 11.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -50.19 -29.27 8.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.71 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 49' ' ' THR . 98.3 t -71.28 -61.6 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.391 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.401 ' NZ ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -59.28 -50.65 73.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.273 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.7 mt -51.6 -38.91 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.064 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -59.35 -47.87 83.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.405 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 64.2 m-85 -66.88 -30.99 71.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 62' ' ' MET . 26.6 mt-30 -65.25 -62.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.646 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -55.47 -52.65 62.93 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -54.99 -25.88 32.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 111.224 -179.473 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -81.51 -37.36 27.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.343 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 30.3 mtt -56.18 -43.15 78.14 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 22.7 pttm . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 120.716 0.293 . . . . 0.0 110.954 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.4 p90 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 19' ' ' TYR . 11.8 t -97.79 169.98 9.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -59.99 -23.71 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.441 ' H ' HG23 ' A' ' 17' ' ' THR . 1.7 m-85 -74.24 -52.27 12.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.421 ' H ' HG23 ' A' ' 17' ' ' THR . 54.5 mt-30 -53.12 -48.98 67.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -68.92 -26.42 65.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.303 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -39.98 94.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 111.087 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HB2' HD21 ' A' ' 46' ' ' LEU . 29.8 mm-40 -77.16 -47.97 18.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.672 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.76 -31.88 72.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.736 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.74 -37.25 62.56 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.115 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -55.29 -41.63 72.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.192 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -84.63 -30.74 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.774 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.429 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 72.1 t80 -55.87 -21.01 17.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.153 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.99 -56.8 11.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.319 0.581 . . . . 0.0 111.405 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.497 ' C ' ' H ' ' A' ' 32' ' ' MET . 10.9 t80 -83.38 -60.88 2.0 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.106 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.429 ' OD1' ' HA ' ' A' ' 28' ' ' PHE . 9.5 m120 50.22 4.56 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.686 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.497 ' H ' ' C ' ' A' ' 30' ' ' PHE . 63.3 mmm -89.18 -7.16 56.19 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.057 0.455 . . . . 0.0 110.323 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -176.44 148.95 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.224 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.1 tp -138.94 147.66 42.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.012 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 t -117.94 159.74 22.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 111.62 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' HA ' ' HE ' ' A' ' 39' ' ' ARG . 47.3 ttp180 -61.86 -38.02 86.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.312 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.26 -23.81 66.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -83.45 -56.26 3.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.756 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 36' ' ' ARG . 82.2 mtm180 -52.72 -31.24 36.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -73.01 -57.15 4.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.77 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.93 -42.03 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.655 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -71.23 -21.81 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.338 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.13 -24.84 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.981 0.419 . . . . 0.0 111.103 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -82.07 -30.84 31.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 m -87.96 -30.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.365 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 23' ' ' GLU . 97.3 mt -93.43 0.31 56.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.98 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.4 m120 58.36 34.94 24.46 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.959 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.471 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 24.0 mt -117.35 179.88 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.507 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 27.2 m -100.71 153.44 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.592 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -52.68 -34.48 52.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -80.12 -40.52 27.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.507 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 50.2 mt-30 -50.72 -38.05 45.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.257 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.4 t -53.04 -60.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.251 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -63.05 -38.45 91.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.71 -29.89 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.292 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -65.83 -57.3 8.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -59.63 -35.69 74.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.798 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.54 -48.2 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.494 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.499 ' HA ' ' HG3' ' A' ' 62' ' ' MET . 88.8 m-20 -59.36 -42.95 92.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.0 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -57.0 -26.05 59.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.776 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -83.49 -35.11 25.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.437 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.499 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 33.6 mtt -54.26 -47.3 72.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.038 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 N--CA 1.446 -0.635 0 CA-C-O 120.758 0.314 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.606 HG23 ' H ' ' A' ' 20' ' ' GLN . 14.0 t -87.87 -173.6 4.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.448 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -79.61 -34.1 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.7 -43.42 59.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.681 0.276 . . . . 0.0 111.503 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.637 ' HA ' HD11 ' A' ' 46' ' ' LEU . 49.5 mt-30 -54.91 -56.11 23.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 t -66.32 -22.16 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.468 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -42.9 99.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.413 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG3' HD13 ' A' ' 46' ' ' LEU . 15.4 mm-40 -78.66 -42.58 28.25 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 111.258 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 20' ' ' GLN . 11.1 mp -59.87 -43.57 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.457 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.68 -32.38 74.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.391 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -56.83 -52.36 65.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.62 -22.65 37.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.43 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 83.7 t80 -54.92 -21.3 11.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.382 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.73 -56.69 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 111.358 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.453 ' C ' ' H ' ' A' ' 32' ' ' MET . 14.9 t80 -81.23 -61.38 1.96 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.258 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.575 ' HB3' HH21 ' A' ' 61' ' ' ARG . 10.3 m120 48.11 9.4 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.644 -178.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.453 ' H ' ' C ' ' A' ' 30' ' ' PHE . 56.4 mmm -87.74 -5.86 58.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.973 0.416 . . . . 0.0 110.385 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.2 t80 178.82 153.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.098 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 tp -143.63 148.83 36.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.424 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.8 t -113.96 157.67 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.328 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG3' HH21 ' A' ' 39' ' ' ARG . 56.2 ttp180 -62.45 -37.97 87.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.512 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.76 -24.63 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.407 ' H ' HG23 ' A' ' 35' ' ' THR . 32.4 tpt180 -81.3 -55.65 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.424 HH21 ' HG3' ' A' ' 36' ' ' ARG . 33.1 mtm180 -50.8 -32.47 20.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -71.69 -59.15 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.924 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.31 -42.57 86.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.821 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 12.8 m -69.77 -22.07 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.5 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.96 -27.28 36.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.965 0.412 . . . . 0.0 110.743 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -75.72 -31.97 59.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.041 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.2 m -88.17 -31.68 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.473 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.637 HD11 ' HA ' ' A' ' 20' ' ' GLN . 1.8 tp -94.38 3.13 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.323 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.549 HD22 ' N ' ' A' ' 47' ' ' ASN . 0.8 OUTLIER 55.95 36.39 27.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.377 179.268 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.552 ' HG ' ' HB3' ' A' ' 46' ' ' LEU . 30.0 mt -114.3 179.41 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.864 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.504 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 16.9 m -97.28 151.93 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.739 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -53.27 -39.3 63.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.342 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -73.29 -42.14 62.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.394 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.504 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 27.6 mt-30 -55.44 -23.64 26.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.674 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' A' ' 39' ' ' ARG . 44.5 t -71.17 -62.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.743 0.306 . . . . 0.0 111.45 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -61.26 -43.03 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.729 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.81 -39.31 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.394 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.448 ' HE1' ' NH2' ' A' ' 60' ' ' ARG . 66.6 t-105 -56.39 -57.4 12.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.135 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -61.83 -30.83 71.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -57.42 -49.91 74.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -57.55 -44.72 85.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.448 ' NH2' ' HE1' ' A' ' 56' ' ' TRP . 70.1 mtt180 -55.92 -26.54 48.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.575 HH21 ' HB3' ' A' ' 31' ' ' ASN . 38.6 mmt180 -82.68 -31.94 28.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.997 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.7 mtp -65.43 -41.07 93.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.713 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 21.9 pttm . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 120.778 0.323 . . . . 0.0 110.952 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.518 ' HA ' ' NE2' ' A' ' 20' ' ' GLN . 6.4 p90 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.893 0.378 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.785 HG23 ' H ' ' A' ' 20' ' ' GLN . 9.8 t -100.22 162.56 12.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -59.72 -33.02 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.815 -179.219 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -73.47 -51.45 17.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 0.0 111.755 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.785 ' H ' HG23 ' A' ' 17' ' ' THR . 6.1 pt20 -57.92 -36.61 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.555 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -80.22 -24.05 40.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -61.79 -37.62 85.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.005 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HB2' HD21 ' A' ' 46' ' ' LEU . 19.0 mm-40 -82.76 -46.59 12.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.339 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.95 -29.73 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.456 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.7 pt-20 -75.7 -33.45 60.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.639 0.257 . . . . 0.0 110.702 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -57.46 -40.6 78.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -86.6 -30.2 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.58 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -51.07 -22.34 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.326 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.95 -58.6 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 0.0 111.18 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -105.08 -55.9 2.25 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.195 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 p30 38.11 28.31 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.662 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.6 mmt -81.36 -20.93 39.53 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.78 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -168.33 149.56 4.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.403 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HG2' ' A' ' 39' ' ' ARG . 12.0 tp -141.84 147.81 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.865 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -118.59 168.15 10.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -55.74 -30.51 61.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.323 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.49 -49.69 76.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.789 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.42 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 22.8 mmt180 -73.59 -50.4 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.416 ' HG2' HD23 ' A' ' 34' ' ' LEU . 52.3 mtp180 -47.89 -37.81 14.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.424 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -71.77 -59.04 2.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.113 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 10.9 pt-20 -55.73 -43.75 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 38' ' ' ARG . 6.3 m -71.59 -20.94 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.373 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.03 -28.8 32.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.986 0.422 . . . . 0.0 111.038 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -80.03 -28.47 39.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.418 HG23 ' HG ' ' A' ' 46' ' ' LEU . 14.6 m -88.2 -32.18 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.241 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 23' ' ' GLU . 94.5 mt -93.52 2.26 56.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.019 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 58.0 33.69 23.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.637 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.6 mt -114.35 179.11 4.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.833 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 53' ' ' VAL . 23.5 m -93.68 149.43 21.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -54.87 -35.29 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.314 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -81.11 -40.47 24.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.321 -179.646 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -57.04 -21.52 31.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.448 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 49' ' ' THR . 92.1 t -72.21 -59.81 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.693 0.283 . . . . 0.0 111.209 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -61.33 -37.3 82.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.058 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.428 HG22 ' ND2' ' A' ' 59' ' ' ASN . 80.8 mt -68.35 -29.25 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.961 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -62.96 -46.57 87.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -71.12 -40.38 71.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -57.85 -54.5 46.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.121 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.494 ' HA ' ' HE2' ' A' ' 62' ' ' MET . 95.1 m-20 -53.66 -46.9 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -56.44 -26.35 53.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.272 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -84.04 -45.22 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.658 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.494 ' HE2' ' HA ' ' A' ' 59' ' ' ASN . 40.2 mtm -51.53 -42.36 61.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.074 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.631 0.253 . . . . 0.0 111.09 -179.605 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.6 p90 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-O 120.728 0.299 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.4 p -79.82 164.89 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.882 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.11 -17.89 64.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.545 178.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.21 -39.99 20.23 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -64.79 -37.42 87.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.274 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -82.31 -23.72 35.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.403 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -65.51 -42.22 92.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.233 -179.827 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.58 ' HB2' HD21 ' A' ' 46' ' ' LEU . 23.8 mm-40 -83.32 -46.12 12.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.694 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 28' ' ' PHE . 9.0 mp -61.35 -28.26 69.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 10.8 pt-20 -72.33 -34.71 68.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.772 0.32 . . . . 0.0 111.136 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.52 -39.55 94.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -86.17 -28.3 24.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 74.9 t80 -52.03 -22.35 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.71 -61.92 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.295 0.569 . . . . 0.0 110.847 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' O ' ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -105.64 -54.62 2.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.369 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 p30 40.33 22.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.594 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 85.2 mmm -89.86 -13.83 35.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 110.828 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -173.42 148.91 1.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.566 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.4 mt -141.29 172.77 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.105 0.478 . . . . 0.0 111.554 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 38' ' ' ARG . 1.7 t -120.87 160.87 22.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -54.88 -36.74 65.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.06 -51.6 68.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.29 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.446 ' H ' HG23 ' A' ' 35' ' ' THR . 23.5 mmt180 -63.03 -54.69 34.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 39' ' ' ARG . 47.8 mtp180 -48.17 -35.67 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.384 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -73.93 -58.97 2.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 45' ' ' VAL . 12.6 pt-20 -55.63 -42.35 74.83 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 38' ' ' ARG . 5.3 m -73.21 -22.31 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.536 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.63 32.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.902 0.382 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -79.33 -28.26 42.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 41' ' ' GLU . 18.4 m -87.93 -34.17 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.362 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 23' ' ' GLU . 94.8 mt -90.66 1.75 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 60.02 31.37 20.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.7 mt -111.14 179.0 4.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.785 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.556 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 19.7 m -102.05 146.88 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.755 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -50.65 -34.74 27.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.282 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.53 -35.31 30.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.33 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.556 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 26.2 mm-40 -61.98 -22.01 65.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.743 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.54 -50.26 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 111.549 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -67.73 -30.56 70.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.607 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.7 mt -79.33 -32.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.631 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 9.0 t90 -61.63 -57.32 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.951 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -65.59 -35.82 81.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -57.73 -49.35 76.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.73 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -53.97 -46.58 71.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -57.57 -27.22 62.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -82.92 -41.6 18.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.495 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.9 mtm -54.08 -46.0 71.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.623 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.735 0.302 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.2 p90 . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.955 0.407 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 20' ' ' GLN . 6.2 t -98.78 168.87 9.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 3.8 mptp? -62.13 -27.18 68.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -71.66 -47.69 52.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.243 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.556 ' H ' HG23 ' A' ' 17' ' ' THR . 19.4 mm-40 -54.04 -56.95 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -64.83 -23.54 67.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.811 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -41.78 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.402 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.487 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.7 mm-40 -82.78 -42.48 17.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.501 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.24 -34.45 76.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.737 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.17 -32.77 70.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.662 0.268 . . . . 0.0 111.231 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -61.48 -42.36 98.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -86.62 -26.64 24.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.995 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -53.42 -21.74 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.134 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.2 mt -62.32 -56.68 16.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.186 0.517 . . . . 0.0 111.283 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 32' ' ' MET . 19.6 t80 -105.2 -55.84 2.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.984 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 p30 34.71 28.17 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.821 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -98.84 -9.11 24.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.439 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.5 t80 175.87 128.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.398 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.7 mt -128.11 176.06 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.958 0.409 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.448 HG23 ' H ' ' A' ' 38' ' ' ARG . 9.7 t -120.0 168.83 10.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.656 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -60.05 -35.94 76.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.723 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.05 -39.22 91.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.361 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.448 ' H ' HG23 ' A' ' 35' ' ' THR . 12.9 mmt180 -76.15 -56.91 4.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.257 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.467 ' HD3' ' HD3' ' A' ' 54' ' ' LYS . 94.6 mtt180 -52.04 -30.35 25.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.45 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -76.53 -58.77 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.913 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 45' ' ' VAL . 11.7 pt-20 -54.04 -40.41 67.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.657 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 38' ' ' ARG . 11.9 m -73.59 -26.81 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.223 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.3 -26.2 33.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -76.55 -30.48 57.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.032 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 41' ' ' GLU . 12.5 m -87.96 -32.5 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.301 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 23' ' ' GLU . 95.9 mt -90.06 -0.63 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.761 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 58.8 32.19 21.97 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 26.5 mt -113.01 179.66 3.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.707 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 m -91.54 155.59 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.714 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.36 -37.28 82.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.528 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 62.4 mtt180 -85.76 -33.52 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.929 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -65.19 -30.79 71.72 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.87 -43.51 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.467 ' HD3' ' HD3' ' A' ' 39' ' ' ARG . 46.7 pttt -70.24 -47.5 61.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.574 0.226 . . . . 0.0 111.46 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.82 -29.56 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.148 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -63.63 -52.3 61.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.029 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -63.13 -41.41 99.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.277 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -53.2 -61.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.79 -46.33 87.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.553 ' HD3' ' HD3' ' A' ' 63' ' ' LYS . 23.3 tpp180 -55.96 -25.34 43.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.3 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -81.79 -47.7 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.372 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.5 mtp -51.06 -47.19 61.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.612 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HD3' ' HD3' ' A' ' 60' ' ' ARG . 22.2 ptmt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.033 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.0 p90 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 121.228 0.537 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.584 HG22 HE21 ' A' ' 20' ' ' GLN . 15.1 t -100.11 178.8 4.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.71 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -71.25 -33.75 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -66.75 -50.3 63.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.288 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.584 HE21 HG22 ' A' ' 17' ' ' THR . 46.5 mt-30 -59.77 -51.52 69.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.596 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 17' ' ' THR . 9.9 t -63.24 -24.0 67.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.38 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -65.14 -49.69 68.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.041 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HB2' HD21 ' A' ' 46' ' ' LEU . 16.8 mm-40 -64.84 -43.51 92.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.304 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.31 -38.81 85.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.91 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 10.5 pt-20 -71.13 -30.55 66.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.646 0.26 . . . . 0.0 110.994 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -59.87 -46.92 87.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -83.82 -28.87 27.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -48.52 -21.96 0.66 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.599 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.9 mt -64.56 -59.7 4.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.265 0.555 . . . . 0.0 110.95 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' MET . 23.5 t80 -105.19 -58.08 1.94 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.908 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 p30 35.72 25.7 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.777 -178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' PHE . 35.5 mtm -105.55 -3.22 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.013 0.435 . . . . 0.0 110.997 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -173.59 118.59 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.075 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.44 HD11 ' NE ' ' A' ' 39' ' ' ARG . 3.0 pp -143.82 -178.99 6.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.328 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 t -115.29 163.16 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.139 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -59.66 -35.12 73.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -60.8 -31.97 71.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 42' ' ' VAL . 10.3 mmt180 -67.93 -56.33 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NE ' HD11 ' A' ' 34' ' ' LEU . 93.2 mtt180 -52.91 -29.69 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.384 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -76.65 -59.03 2.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.621 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -54.75 -42.2 71.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.476 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 38' ' ' ARG . 10.5 m -71.21 -26.71 27.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.107 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.32 -25.71 33.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.01 0.433 . . . . 0.0 110.985 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.91 -32.22 63.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -88.38 -26.47 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.23 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 23' ' ' GLU . 88.5 mt -92.74 -2.08 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m120 59.66 32.83 21.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.165 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 22.1 mt -117.91 179.57 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 53' ' ' VAL . 27.3 m -101.79 147.07 26.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.701 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -50.29 -40.58 48.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.879 0.371 . . . . 0.0 111.007 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -65.36 -53.1 48.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -55.83 -25.93 44.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.538 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 49' ' ' THR . 70.3 t -72.88 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.707 0.289 . . . . 0.0 111.517 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.07 -45.25 91.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.775 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.2 mt -61.21 -33.18 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.535 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -61.34 -55.83 27.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.116 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -62.31 -43.98 97.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.438 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -53.65 -54.34 39.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.538 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -54.13 -45.49 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.253 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -59.18 -23.56 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.224 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -83.16 -45.77 13.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.315 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.3 mtp -51.33 -47.88 62.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.657 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.2 pttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.445 ' HB2' ' HB2' ' A' ' 20' ' ' GLN . 3.3 p90 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.978 0.418 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.57 ' H ' HE21 ' A' ' 20' ' ' GLN . 9.5 t -90.99 169.64 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -57.2 -30.57 64.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -67.91 -49.58 61.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.172 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.57 HE21 ' H ' ' A' ' 17' ' ' THR . 49.1 mt-30 -59.38 -53.19 60.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.458 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -63.07 -23.76 67.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.447 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -61.9 -47.94 82.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.608 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.6 mm-40 -73.18 -39.14 65.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.13 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.43 -35.25 80.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.42 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 11.9 pt-20 -78.04 -28.09 48.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.865 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 25.7 mmmt -59.67 -43.05 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.839 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -84.62 -34.69 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.565 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -48.64 -22.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.251 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.63 -61.37 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.209 0.528 . . . . 0.0 111.032 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -105.53 -55.15 2.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.269 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 p30 34.9 30.99 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.685 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 89.8 mmm -76.45 -28.18 56.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.788 0.328 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -177.56 144.19 0.38 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.87 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.3 mt -143.87 178.99 7.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.031 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -120.14 166.05 13.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -56.78 -36.9 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.09 0.472 . . . . 0.0 110.481 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.0 -34.21 67.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.819 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' O ' HG13 ' A' ' 42' ' ' VAL . 15.3 mmt180 -77.39 -52.9 8.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.06 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -53.61 -30.1 41.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -74.29 -57.19 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.638 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.95 -46.02 85.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.583 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 38' ' ' ARG . 11.3 m -65.31 -25.82 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.487 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.99 -25.98 36.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -71.44 -34.96 70.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.793 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.4 m -88.02 -26.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.446 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 23' ' ' GLU . 81.2 mt -95.17 -2.44 49.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.221 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 58.36 32.45 22.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.487 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 28.8 mt -111.55 179.73 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.739 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.6 m -99.28 151.28 21.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -55.08 -35.16 64.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -85.79 -34.74 21.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -57.63 -39.26 76.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.617 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 54' ' ' LYS . 30.6 m -68.11 -44.24 84.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.749 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 53' ' ' VAL . 54.5 mtmt -66.46 -49.43 66.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.742 0.306 . . . . 0.0 110.785 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 98.2 mt -56.7 -27.85 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.466 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -63.6 -52.67 59.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.564 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -62.37 -39.4 93.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -48.95 -57.07 7.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.361 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -57.53 -44.46 85.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.242 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -56.42 -23.16 36.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.233 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -83.53 -47.15 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.942 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.5 mtp -51.57 -49.22 62.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.34 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.966 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -139.71 -36.71 0.5 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.798 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -169.43 -22.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 pt -75.55 -32.15 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -136.33 -1.69 2.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.92 126.89 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -159.57 -62.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.772 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.8 t -82.19 118.42 23.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 t -130.2 6.28 4.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 10' ' ' ARG . 4.5 mmp_? -106.03 17.85 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -107.56 -77.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.61 ' HG3' ' HG2' ' A' ' 15' ' ' PRO . 39.2 ttpt 54.3 78.81 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -64.52 -75.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.254 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.599 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 77.5 m -149.07 54.3 1.62 Allowed Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.029 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.61 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 5.1 Cg_exo -79.89 23.47 0.67 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.527 2.152 . . . . 0.0 112.416 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -92.29 172.07 8.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.537 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.805 HG23 ' H ' ' A' ' 20' ' ' GLN . 11.1 t -101.06 159.85 14.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -67.4 -33.14 74.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.496 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.403 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 6.5 t80 -65.98 -45.15 82.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.981 0.42 . . . . 0.0 111.331 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.805 ' H ' HG23 ' A' ' 17' ' ' THR . 25.6 mt-30 -58.38 -57.51 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.312 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -62.47 -23.19 66.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.487 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -60.8 -53.77 53.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.191 -179.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HG3' HD13 ' A' ' 46' ' ' LEU . 13.0 mm-40 -67.07 -32.23 73.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.28 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.36 -39.9 81.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.385 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.52 -27.98 37.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.675 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -63.07 -40.09 96.66 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.71 -37.72 48.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.726 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -51.06 -23.23 2.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.476 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.49 -62.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.117 0.484 . . . . 0.0 112.098 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -105.01 -53.5 2.65 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.492 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -78.62 65.55 3.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.263 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 71.3 mtp -56.2 -33.16 65.05 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.333 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -101.72 163.41 12.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.307 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 39' ' ' ARG . 3.9 mm? -111.7 122.04 46.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 111.373 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -115.23 164.94 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -54.1 -35.09 61.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 111.078 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.02 -60.03 4.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 42' ' ' VAL . 31.7 mmt180 -62.79 -58.88 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.442 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' CZ ' ' HD3' ' A' ' 54' ' ' LYS . 59.3 mtp180 -41.47 -38.99 1.4 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.806 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -71.11 -59.31 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.93 -47.78 83.84 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 38' ' ' ARG . 10.1 m -62.63 -23.68 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 111.275 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -79.85 -24.69 41.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -79.78 -30.64 40.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.144 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.3 m -88.55 -29.73 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.27 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.544 ' HB3' ' HG ' ' A' ' 48' ' ' LEU . 2.0 tp -95.47 0.1 52.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.8 m120 57.47 36.65 27.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.634 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 46' ' ' LEU . 30.0 mt -114.37 179.03 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.823 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 25.8 m -93.81 149.48 21.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.647 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -50.77 -39.1 51.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -85.81 -31.33 22.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.445 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.513 ' HB2' ' HB ' ' A' ' 49' ' ' THR . 8.8 tt0 -55.57 -45.22 77.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.921 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -72.07 -40.11 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.44 ' HD3' ' CZ ' ' A' ' 39' ' ' ARG . 37.4 ttpt -63.96 -49.69 71.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.912 0.387 . . . . 0.0 110.83 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.455 HG22 ' ND2' ' A' ' 59' ' ' ASN . 77.2 mt -61.61 -27.42 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.812 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -62.15 -47.94 82.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.683 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -70.06 -42.43 72.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.828 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 62' ' ' MET . 36.0 tt0 -54.81 -57.57 11.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.174 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.455 ' ND2' HG22 ' A' ' 55' ' ' ILE . 92.8 m-20 -51.87 -47.93 64.27 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.371 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -52.35 -28.85 21.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -83.76 -43.24 15.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.45 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 37.1 mtp -54.05 -46.68 72.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.544 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -58.86 -28.6 66.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.707 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.3 mtp -84.63 -20.69 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.697 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -75.05 -59.67 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -77.11 -5.66 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 81.3 mtp 57.95 -171.01 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.952 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.765 0.317 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.469 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . 1.7 m-20 59.23 17.41 5.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -94.73 -58.33 2.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.75 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.5 pt -133.63 -8.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.2 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -97.3 -0.4 46.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.469 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . . . -65.07 137.18 57.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 58.39 100.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.274 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -148.84 111.5 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.753 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 m -133.56 143.63 48.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.64 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 38.1 ttp180 60.89 179.0 0.1 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.64 ' H ' ' HG2' ' A' ' 10' ' ' ARG . 62.7 tttp -50.2 144.69 6.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.267 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -79.18 168.88 18.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -139.97 91.42 2.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.8 m 50.08 65.92 6.25 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.026 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -91.77 32.27 0.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.075 2.517 . . . . 0.0 112.72 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -56.95 152.63 12.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.277 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 20' ' ' GLN . 15.2 t -100.99 170.16 8.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.051 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -66.1 -32.81 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.674 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -48.25 38.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.781 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.663 ' H ' HG23 ' A' ' 17' ' ' THR . 17.4 pt20 -62.65 -38.72 91.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.32 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -77.27 -23.69 51.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -63.23 -54.52 36.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.504 -179.73 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.619 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.8 mm-40 -67.24 -40.55 86.32 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.05 -36.75 80.4 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -80.73 -42.44 21.88 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -58.38 -31.22 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.7 pt-20 -87.87 -34.25 18.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.639 0.257 . . . . 0.0 111.623 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -55.98 -23.08 30.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.331 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.33 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -105.96 -50.21 3.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.061 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 27' ' ' GLU . 79.3 m-20 -75.27 63.91 1.42 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.913 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.7 mtt -70.46 -21.21 62.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.097 0.475 . . . . 0.0 110.279 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -148.3 124.57 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.199 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 38' ' ' ARG . 96.1 mt -127.02 -179.67 4.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.078 0.466 . . . . 0.0 111.698 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -101.57 177.53 4.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.13 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -35.43 72.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -60.99 -53.24 59.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.54 ' HB3' HD13 ' A' ' 34' ' ' LEU . 6.0 mmt180 -62.89 -45.09 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.057 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -57.73 -25.68 60.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.449 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 83.9 t80 -76.02 -58.52 3.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.542 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.78 -41.09 70.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.323 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 m -71.86 -25.03 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.85 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.29 -25.52 33.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.632 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -74.28 -30.82 62.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.689 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 m -88.36 -27.58 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.619 HD21 ' HB2' ' A' ' 23' ' ' GLU . 64.2 mt -92.81 -4.73 52.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 58.89 31.94 21.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.639 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 28.6 mt -113.42 179.42 3.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.75 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.516 ' H ' HE21 ' A' ' 52' ' ' GLN . 20.6 m -95.2 144.96 25.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 40' ' ' TYR . 43.6 mt-10 -52.96 -41.29 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.032 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 8.8 mpt_? -76.52 -33.24 58.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.516 HE21 ' H ' ' A' ' 49' ' ' THR . 9.5 tt0 -64.88 -26.41 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.348 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.1 t -76.04 -51.8 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.706 0.288 . . . . 0.0 111.451 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HB2' ' NZ ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -63.4 -45.05 92.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.411 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.3 mt -63.07 -32.59 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.261 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -61.9 -52.46 64.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.034 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -67.46 -36.75 81.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -58.26 -44.82 88.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.665 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -58.44 -45.76 87.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 97.6 mtt180 -61.34 -21.68 64.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.093 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -82.8 -30.16 29.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.3 mtp -69.29 -41.67 76.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.488 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 62.3 pttt -59.83 -37.95 80.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.726 0.298 . . . . 0.0 110.807 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 97.0 mmm -77.79 -12.13 59.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.006 0.432 . . . . 0.0 110.439 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -106.04 -0.74 24.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -100.86 -29.27 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 64.0 mtt -97.59 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.079 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.59 -75.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -163.82 -32.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.7 pt -85.07 15.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.437 ' HB3' ' HG3' ' A' ' 7' ' ' ARG . 38.3 t60 61.53 20.93 11.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.114 0.483 . . . . 0.0 110.158 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.34 15.53 4.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.22 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.437 ' HG3' ' HB3' ' A' ' 5' ' ' HIS . 75.4 mtp180 -78.78 135.81 37.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.6 t -146.28 160.18 42.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.5 p -67.63 137.58 55.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -97.29 136.92 37.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -109.74 104.84 13.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.598 ' HE3' ' HB3' ' A' ' 15' ' ' PRO . 55.5 mtmt -141.58 -175.62 4.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -72.93 -53.47 11.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.798 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.0 p -139.65 71.51 37.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.598 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 87.6 Cg_endo -88.57 29.37 0.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.888 2.392 . . . . 0.0 112.739 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -60.77 158.71 12.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.33 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -99.82 -176.53 3.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.124 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -82.34 -20.52 37.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.482 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -82.94 -43.52 16.38 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.046 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.579 ' HA ' HD22 ' A' ' 46' ' ' LEU . 80.3 mt-30 -59.65 -40.13 86.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.962 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -80.34 -23.64 40.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -62.08 -42.32 99.09 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.858 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.496 ' HB2' HD11 ' A' ' 46' ' ' LEU . 18.1 mm-40 -78.5 -44.11 25.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.362 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.91 -34.22 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.425 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.8 -28.55 50.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.552 0.215 . . . . 0.0 111.221 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 8.2 mmmm -56.86 -45.23 82.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -86.13 -28.56 23.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.485 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 65.3 t80 -53.39 -21.12 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.996 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -62.13 -57.64 10.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.273 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.35 -55.61 2.3 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.619 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.485 ' OD1' ' HA ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER 45.14 17.14 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.288 -178.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.5 mmt -65.32 -9.78 27.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 0.0 110.653 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -179.59 147.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.107 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.479 HD23 ' HE ' ' A' ' 39' ' ' ARG . 10.8 tp -135.8 144.05 45.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.1 t -120.33 161.58 20.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.317 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.84 -39.17 80.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.303 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.44 -29.44 67.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.672 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' H ' HG23 ' A' ' 35' ' ' THR . 25.1 tpp180 -79.92 -51.36 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.395 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.479 ' HE ' HD23 ' A' ' 34' ' ' LEU . 86.0 mtt180 -54.43 -28.73 46.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.11 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -73.31 -58.44 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.652 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -57.54 -44.2 85.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.692 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.35 -25.52 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.802 0.334 . . . . 0.0 111.074 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.2 -28.25 38.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -72.8 -32.3 65.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -88.04 -31.35 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.247 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 20' ' ' GLN . 57.4 mt -90.21 -3.35 57.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 57.5 33.99 24.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.421 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 24.7 mt -115.04 179.35 3.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.803 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 m -94.57 148.32 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.514 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 2.0 mp0 -53.24 -52.34 59.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 0.0 110.714 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -62.83 -38.84 92.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.729 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -52.21 -40.17 61.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.1 t -61.54 -47.57 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -63.68 -54.81 29.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.3 mt -52.87 -34.72 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.886 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -60.29 -56.26 23.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -64.38 -26.58 68.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 62' ' ' MET . 16.2 tp60 -61.5 -53.52 55.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -57.44 -43.14 83.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.505 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -61.07 -22.42 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.619 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -83.25 -39.17 21.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.83 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 35.3 mtt -53.45 -47.26 69.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.533 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -59.08 -40.14 84.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.666 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.8 mmt -70.63 -17.03 62.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.029 0.442 . . . . 0.0 110.362 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -89.08 -9.74 50.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.006 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -87.91 -24.97 23.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.77 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.8 tpt -68.61 -64.16 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.968 179.83 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.818 0.342 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -113.68 -49.13 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -103.49 -2.23 27.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.1 mm -92.91 -48.43 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -138.84 -23.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.63 -178.21 0.1 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -100.14 -171.88 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.8 m -57.82 156.48 8.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.7 p -66.49 121.56 15.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.078 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -146.89 15.6 1.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -125.28 -72.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -88.68 157.77 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -138.56 -6.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 23.3 p -161.33 62.17 1.49 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 14' ' ' CYS . 97.7 Cg_endo -89.89 27.92 0.46 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.718 2.279 . . . . 0.0 113.067 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -93.17 160.48 14.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.679 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.519 HG22 HE21 ' A' ' 20' ' ' GLN . 14.8 t -99.88 168.73 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.057 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -61.75 -27.14 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.289 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -75.03 -42.02 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.324 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.519 HE21 HG22 ' A' ' 17' ' ' THR . 44.5 mt-30 -59.97 -57.58 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -61.45 -23.75 66.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.485 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -65.32 -51.7 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.572 -179.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.667 ' HB2' HD21 ' A' ' 46' ' ' LEU . 18.9 mm-40 -74.37 -34.69 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.81 -32.54 73.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.805 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.1 pt-20 -80.51 -35.95 33.92 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.388 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 72.8 mmtt -58.76 -37.39 76.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.684 0.278 . . . . 0.0 111.184 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -84.44 -21.85 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -65.67 -22.76 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.58 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.42 -58.58 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.22 0.534 . . . . 0.0 111.156 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -77.28 -55.55 5.31 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.188 -179.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.463 HD22 ' HA ' ' A' ' 31' ' ' ASN . 3.3 m120 48.08 25.56 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.71 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.434 ' O ' ' HB3' ' A' ' 33' ' ' TYR . 4.6 mmt -79.37 14.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.599 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 32' ' ' MET . 76.8 t80 72.24 86.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.96 -179.96 1.33 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.741 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.9 t -106.88 175.83 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -58.58 -32.53 69.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.357 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -57.37 -41.97 81.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.716 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -75.35 -50.46 15.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.05 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -51.76 -31.55 27.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -72.06 -59.13 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.666 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.4 -43.56 83.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.756 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 m -69.72 -21.64 24.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.709 0.29 . . . . 0.0 111.275 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -81.93 -26.59 33.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 110.786 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -73.61 -35.16 65.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.72 -26.03 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.975 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 23' ' ' GLU . 50.6 mt -94.57 -4.18 48.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.825 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 59.49 32.85 21.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.972 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 22.3 mt -117.1 179.74 3.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.78 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 51' ' ' ARG . 21.6 m -97.91 149.76 22.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.63 -34.02 61.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.936 0.398 . . . . 0.0 111.083 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.413 ' H ' HG22 ' A' ' 49' ' ' THR . 33.1 mmt180 -79.75 -53.41 6.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.339 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -44.93 -51.14 10.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.999 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.56 -40.16 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.686 0.279 . . . . 0.0 111.603 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -64.95 -62.29 1.65 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 111.041 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.0 mt -53.3 -31.7 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.394 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -60.88 -46.15 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -74.76 -33.06 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.986 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -54.6 -58.02 9.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.929 0.395 . . . . 0.0 110.943 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -64.88 -42.13 95.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.563 ' HD3' ' HD3' ' A' ' 63' ' ' LYS . 6.1 tpp180 -52.16 -24.74 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.188 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -82.75 -50.17 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.027 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.5 mtp -58.7 -45.19 90.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.761 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.563 ' HD3' ' HD3' ' A' ' 60' ' ' ARG . 22.3 ptmt -58.22 -37.41 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.158 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.9 mtp -82.75 -10.97 58.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.658 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -103.64 14.49 31.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -23.45 62.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.971 0.415 . . . . 0.0 110.649 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -108.51 -28.01 9.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.833 179.895 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.453 ' HB2' ' HB3' ' A' ' 6' ' ' ALA . 26.3 m-80 -108.91 -50.15 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -106.27 -86.05 0.49 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.247 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.8 mm -119.85 -17.7 6.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -176.57 13.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 2' ' ' ASN . . . -54.88 125.86 21.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -120.5 -69.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.943 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.7 t -117.59 173.15 6.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.6 p -82.28 3.62 26.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -160.85 117.93 2.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 1.4 pptp? -94.77 164.24 13.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -111.79 149.85 31.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -158.42 -64.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.494 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 74.2 m -144.44 57.26 4.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.681 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 14' ' ' CYS . 89.9 Cg_endo -92.83 30.72 0.29 Allowed 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.996 2.464 . . . . 0.0 113.005 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -74.87 146.74 41.67 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.615 HG23 ' H ' ' A' ' 20' ' ' GLN . 15.1 t -100.08 179.14 4.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -74.07 -26.52 60.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.28 -38.09 51.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.592 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.615 ' H ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -64.51 -38.7 91.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.997 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -82.08 -23.21 35.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -64.01 -46.33 85.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.584 ' HB2' HD21 ' A' ' 46' ' ' LEU . 20.0 mm-40 -73.47 -41.23 63.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.349 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.38 -32.41 74.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.753 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.4 pt-20 -80.95 -33.45 33.96 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.224 -0.191 . . . . 0.0 111.374 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 37.4 mmtm -57.16 -42.07 80.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.297 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -84.56 -33.45 23.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -51.86 -22.5 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.084 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.13 -60.23 3.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 111.418 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -104.96 -52.45 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.666 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 p30 36.39 43.07 0.22 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.751 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -59.02 -38.74 79.97 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.205 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -168.05 141.05 3.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -107.36 117.72 34.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -113.88 171.88 7.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.699 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -56.56 -28.07 59.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.185 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.6 -54.65 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -66.68 -55.05 16.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.28 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -49.15 -34.51 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.885 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -73.0 -59.43 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.43 -42.93 71.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.558 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 m -72.06 -20.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.321 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.35 -27.89 34.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.386 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -76.14 -32.61 59.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.1 m -87.74 -30.63 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.394 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.584 HD21 ' HB2' ' A' ' 23' ' ' GLU . 81.5 mt -93.49 -3.21 53.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.37 37.75 28.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.013 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD22 HE22 ' A' ' 52' ' ' GLN . 31.1 mt -114.13 178.55 4.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.072 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.455 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 22.7 m -85.56 152.02 23.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.676 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.01 -36.22 70.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.227 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -85.52 -31.52 22.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.409 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.523 HE22 HD22 ' A' ' 48' ' ' LEU . 51.3 tt0 -52.7 -30.95 35.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.384 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.01 -61.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.683 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -62.22 -34.79 77.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.653 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.61 -30.88 50.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.83 0.348 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.16 -51.44 61.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -67.7 -38.58 83.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -58.33 -49.43 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -55.42 -46.05 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.977 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -62.22 -21.95 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -83.72 -37.1 23.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.1 mtm -55.63 -46.53 77.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.255 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -58.63 -31.25 67.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.561 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 95.6 mmm -86.18 -16.07 38.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.063 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -69.68 -4.55 20.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.244 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.21 -34.35 12.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.639 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -169.09 138.0 2.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.755 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.001 -179.869 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.482 ' N ' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -167.55 -51.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -165.56 -19.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.6 mt -59.07 -60.81 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -134.62 -4.64 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.482 ' HB3' ' N ' ' A' ' 1' ' ' ALA . . . -146.99 171.01 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.277 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -135.77 -67.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.674 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.5 p -109.12 -19.71 13.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.2 m 58.38 96.09 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -164.14 17.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.492 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -84.49 107.45 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.148 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.518 ' HB2' ' HG3' ' A' ' 15' ' ' PRO . 75.6 mmtt -131.12 168.45 17.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.45 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -97.51 -35.55 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.001 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.7 t -154.71 70.05 5.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.518 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 66.5 Cg_endo -90.21 16.7 1.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.627 2.218 . . . . 0.0 112.756 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.407 ' HA ' ' NE2' ' A' ' 20' ' ' GLN . 29.9 p90 -107.61 155.58 19.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.482 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.629 ' H ' ' NE2' ' A' ' 20' ' ' GLN . 25.1 p -95.52 169.12 10.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.15 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -74.6 -19.9 60.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.58 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -83.28 -47.77 11.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.092 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.629 ' NE2' ' H ' ' A' ' 17' ' ' THR . 8.5 pt20 -62.53 -33.52 75.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.166 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 17' ' ' THR . 12.3 t -82.3 -25.28 34.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.096 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -62.32 -39.49 93.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.4 mm-40 -82.99 -46.28 13.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.339 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.09 -26.11 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.549 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 11.2 pt-20 -80.43 -33.73 36.68 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 71.2 mmtt -55.67 -40.39 72.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.932 0.396 . . . . 0.0 110.512 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -84.95 -35.35 22.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.526 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -50.16 -21.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.332 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.49 -59.78 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.245 0.545 . . . . 0.0 111.007 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -105.18 -55.69 2.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.037 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 p30 39.2 22.91 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.918 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.4 mtp -92.18 -13.43 30.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.176 0.512 . . . . 0.0 110.354 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -152.78 132.78 13.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.546 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.521 HD23 ' HE ' ' A' ' 39' ' ' ARG . 10.8 tp -141.61 143.46 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.808 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 38' ' ' ARG . 9.9 t -120.28 171.64 8.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -63.15 -35.43 80.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.73 -39.25 90.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.344 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' H ' HG23 ' A' ' 35' ' ' THR . 22.6 tpp180 -72.16 -48.92 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.745 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HE ' HD23 ' A' ' 34' ' ' LEU . 94.5 mtt180 -54.69 -31.07 57.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.547 ' HA ' ' HG3' ' A' ' 50' ' ' GLU . 69.2 t80 -74.37 -59.12 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.928 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.82 -41.39 67.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.603 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 m -74.02 -22.78 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.282 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.34 -28.73 31.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HA ' ' HE ' ' A' ' 44' ' ' ARG . 2.7 mmp_? -76.47 -29.86 57.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 m -87.72 -33.26 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.429 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 23' ' ' GLU . 74.6 mt -89.33 1.13 56.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.6 m120 58.47 32.19 21.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.1 mt -114.76 179.07 4.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.44 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 15.7 m -95.74 147.53 23.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.656 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.547 ' HG3' ' HA ' ' A' ' 40' ' ' TYR . 2.4 mp0 -56.51 -36.34 69.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.485 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 8.9 mpt_? -73.94 -41.18 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.068 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.44 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 18.7 mm-40 -57.03 -23.82 49.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 49' ' ' THR . 70.4 t -69.24 -62.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.554 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 51' ' ' ARG . 50.3 pttt -62.0 -46.2 90.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.689 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.9 mt -55.89 -35.03 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.152 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -60.79 -53.53 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.542 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.92 -32.31 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.477 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 62' ' ' MET . 68.8 mt-30 -58.04 -50.93 71.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.061 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -54.14 -43.64 70.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.05 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 71.4 mtt180 -63.11 -23.14 67.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.187 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.476 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 43.7 ttp180 -84.41 -42.79 15.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.864 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 17.4 ptm -83.79 -12.31 55.85 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -60.13 -40.55 90.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.771 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.429 ' HG3' ' HG3' ' A' ' 63' ' ' LYS . 71.5 mtm -85.75 -18.62 32.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 61' ' ' ARG . 46.3 mmtm -73.08 -29.14 62.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.212 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -86.09 5.73 32.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.187 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 96.4 mmm -111.62 103.39 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.331 -0.843 . . . . 0.0 110.858 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.803 0.335 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -99.6 -179.62 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 19.2 m-90 -68.71 -17.73 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 4' ' ' ILE . 9.0 mm -93.3 16.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.597 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 60.29 27.14 16.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.011 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.62 112.3 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.231 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -154.28 139.19 17.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.8 p -132.91 116.61 16.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.6 p 52.38 -173.19 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.663 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -158.5 146.51 18.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.574 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -103.82 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.115 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 61.57 171.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.297 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -117.78 -20.12 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.274 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.0 p -151.08 68.57 8.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.623 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -91.31 33.04 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.966 2.444 . . . . 0.0 112.582 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -54.59 151.88 7.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.241 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 20' ' ' GLN . 10.2 t -100.58 167.37 10.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 3.8 mptp? -66.42 -28.66 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.759 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -67.97 -44.9 75.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.657 ' H ' HG23 ' A' ' 17' ' ' THR . 67.4 mt-30 -55.8 -55.5 31.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.174 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -68.31 -22.22 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -49.48 77.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.453 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.605 ' HB2' HD21 ' A' ' 46' ' ' LEU . 13.9 mm-40 -70.47 -40.02 73.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.838 0.351 . . . . 0.0 111.496 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.82 -32.46 73.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.914 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.41 -39.33 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.625 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -57.17 -37.11 71.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.499 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -83.32 -34.99 25.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.744 0.306 . . . . 0.0 111.361 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -52.53 -22.8 5.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.543 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 mt -75.73 -62.68 1.5 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.135 0.493 . . . . 0.0 111.938 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -105.47 -56.17 2.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.806 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -77.98 64.78 3.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.665 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.4 mtt -61.76 -28.62 69.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -129.85 113.15 14.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.285 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.9 mt -89.11 175.99 7.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.174 0.511 . . . . 0.0 111.809 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 37' ' ' ASP . 12.4 t -120.08 -176.55 3.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.534 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -58.95 -38.35 78.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 110.578 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.412 ' H ' HG23 ' A' ' 35' ' ' THR . 11.5 m-20 -65.54 -57.18 8.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 42' ' ' VAL . 18.4 mmt180 -56.92 -49.05 76.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -52.09 -31.93 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.41 -58.62 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.445 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -57.56 -45.81 84.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.581 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 38' ' ' ARG . 13.0 m -66.09 -23.54 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.72 0.295 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.38 -25.0 34.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -77.5 -32.82 54.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -87.77 -25.89 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.305 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 20' ' ' GLN . 46.6 mt -95.55 -5.28 43.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.39 33.62 22.46 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.802 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.444 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.2 mt -115.47 179.11 4.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.488 ' HB ' ' HB2' ' A' ' 52' ' ' GLN . 44.6 m -91.85 145.61 24.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.36 -55.47 21.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 70.1 mtm180 -62.14 -34.6 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.958 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.488 ' HB2' ' HB ' ' A' ' 49' ' ' THR . 53.1 tt0 -58.0 -31.78 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.2 t -59.9 -60.49 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.334 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 51' ' ' ARG . 61.4 pttt -62.73 -38.16 89.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.306 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.3 mt -67.63 -27.94 40.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -66.95 -51.41 55.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.76 -39.4 87.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.1 -54.08 50.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.69 -47.21 73.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -57.07 -25.49 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -82.97 -35.32 26.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.1 mtp -57.47 -49.88 74.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -58.95 -36.68 75.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 65.2 mtt -77.54 -16.56 58.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -83.8 -9.23 58.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.299 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -95.79 -34.87 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.5 ptm -167.75 -171.57 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.929 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.762 0.315 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -159.39 -50.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.812 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -156.86 -32.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.3 pt -82.98 -30.06 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.275 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -94.03 -48.64 6.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.23 -171.51 0.12 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.351 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 59.62 96.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.174 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.8 m -156.32 -30.7 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.4 p -87.34 112.09 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -113.33 167.99 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -77.25 172.79 12.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.07 103.22 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.043 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -88.77 -54.93 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.626 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.5 t -154.09 81.48 4.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.558 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -83.4 25.03 0.7 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.584 2.189 . . . . 0.0 112.368 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -85.48 173.19 10.42 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.977 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.782 HG23 ' H ' ' A' ' 20' ' ' GLN . 7.1 t -100.6 167.36 10.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.757 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -70.04 -31.54 69.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 -179.71 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -69.34 -49.64 53.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.382 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.782 ' H ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -54.74 -56.27 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.237 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -63.4 -24.46 67.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.692 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -41.96 99.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.461 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.614 ' HB2' HD21 ' A' ' 46' ' ' LEU . 18.6 mm-40 -83.27 -46.82 12.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.567 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.27 -34.26 70.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.845 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.72 -32.92 73.06 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.157 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.29 -45.71 92.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -83.94 -27.27 28.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.353 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -53.67 -22.01 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -62.48 -59.13 5.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.47 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -104.81 -53.76 2.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.883 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 p30 37.58 27.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.778 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.7 mmm -81.11 -22.71 38.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.789 0.328 . . . . 0.0 110.581 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.7 t80 175.61 140.21 0.06 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.379 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.1 mt -132.39 174.53 10.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 111.16 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 t -117.23 163.65 15.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.942 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -57.46 -27.09 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.93 -45.64 88.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -77.68 -51.43 10.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' NH2' ' HD3' ' A' ' 51' ' ' ARG . 60.9 mtp180 -51.88 -29.84 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.3 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.441 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 39.9 t80 -77.12 -56.86 4.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.64 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.53 -42.55 83.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.592 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 m -70.55 -25.16 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.25 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.16 -27.85 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -75.63 -30.65 59.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.164 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 m -88.19 -30.42 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.452 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 23' ' ' GLU . 95.3 mt -91.68 2.58 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.011 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' A' ' 47' ' ' ASN . 2.6 t-20 59.17 30.79 20.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.221 0.534 . . . . 0.0 110.711 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 27.8 mt -113.51 179.59 3.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.745 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -106.42 149.28 27.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 40' ' ' TYR . 37.9 mt-10 -50.81 -32.22 19.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.869 0.366 . . . . 0.0 111.342 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HD3' ' NH2' ' A' ' 39' ' ' ARG . 31.1 mmt180 -84.99 -51.98 6.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.235 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -47.46 -45.91 26.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.343 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.1 -42.49 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -66.96 -52.72 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.616 0.246 . . . . 0.0 110.879 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.468 ' HA ' HE21 ' A' ' 58' ' ' GLN . 81.1 mt -59.83 -28.16 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.083 0.468 . . . . 0.0 110.513 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -58.17 -53.96 52.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -68.34 -39.37 81.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.468 HE21 ' HA ' ' A' ' 55' ' ' ILE . 45.7 mt-30 -52.27 -53.74 40.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -55.69 -46.38 77.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -54.45 -24.17 19.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.314 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 2.0 mmp_? -82.66 -45.73 14.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.537 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 36.4 mtp -50.6 -52.3 40.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.016 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.491 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -57.24 -30.92 65.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.192 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 26.5 mmt -83.08 -20.36 35.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.64 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -82.87 -6.2 59.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.948 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -85.63 1.0 51.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 23.0 ptp -134.6 -22.91 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.725 179.806 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.507 ' HB2' HH21 ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -66.05 176.6 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -100.47 6.19 44.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.0 mm -113.98 -27.25 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -109.48 -30.31 8.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.972 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.54 176.61 0.14 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.28 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.507 HH21 ' HB2' ' A' ' 1' ' ' ALA . 20.5 tpp180 -95.09 -57.94 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.9 m -88.96 150.06 23.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.783 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.553 HG22 ' HG3' ' A' ' 10' ' ' ARG . 40.5 m -70.27 123.57 22.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.553 ' HG3' HG22 ' A' ' 9' ' ' THR . 55.0 mtm180 54.41 -174.17 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.31 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -125.79 -45.34 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.742 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -92.33 160.26 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.922 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -102.3 -43.73 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -147.29 74.15 11.78 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.621 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -90.82 30.78 0.35 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.919 2.413 . . . . 0.0 112.831 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -59.12 161.32 5.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.25 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.464 ' O ' HG22 ' A' ' 21' ' ' THR . 10.3 t -100.14 174.82 5.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.72 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -63.07 -29.63 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -70.96 -50.14 37.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.573 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.442 ' H ' HG23 ' A' ' 17' ' ' THR . 15.9 mm100 -57.65 -51.62 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.309 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 17' ' ' THR . 8.8 t -66.14 -24.71 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.676 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -61.91 -51.36 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.143 -179.574 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.57 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.5 mm-40 -67.04 -43.16 83.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.507 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.57 -40.32 96.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.793 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.3 pt-20 -74.38 -27.37 60.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.673 0.273 . . . . 0.0 110.692 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -59.32 -40.26 85.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.833 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.54 -20.02 32.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.564 ' HA ' HD21 ' A' ' 31' ' ' ASN . 58.3 t80 -64.92 -23.14 67.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.972 0.415 . . . . 0.0 110.817 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.64 -60.98 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.593 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -54.23 11.92 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.755 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.564 HD21 ' HA ' ' A' ' 28' ' ' PHE . 9.5 m120 61.49 15.18 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.11 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 mmm -78.13 7.75 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.1 t80 70.48 105.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 38' ' ' ARG . 2.6 pt? -61.59 -178.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.618 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 t -119.96 178.87 4.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.13 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -56.16 -39.07 71.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.947 0.403 . . . . 0.0 110.597 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.61 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.589 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 24.4 mmt180 -60.97 -47.86 84.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.673 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -51.49 -30.49 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -77.34 -55.33 5.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.106 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 12.0 pt-20 -61.92 -44.88 95.86 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 38' ' ' ARG . 5.7 m -67.73 -28.6 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.592 0.234 . . . . 0.0 111.524 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -78.75 -27.35 44.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -72.19 -31.44 65.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.9 m -88.15 -26.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.034 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 23' ' ' GLU . 91.4 mt -92.86 -8.57 43.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.037 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.7 t30 61.18 34.22 18.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.704 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.6 mt -119.81 179.2 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.714 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.495 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 22.3 m -90.56 149.06 22.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.714 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -55.14 -35.02 64.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.218 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' H ' HG22 ' A' ' 49' ' ' THR . 98.6 mtt180 -76.58 -33.64 58.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.363 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 28.8 mm-40 -62.4 -28.84 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.437 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.0 t -72.71 -53.41 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.462 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -62.93 -43.46 98.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.461 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.98 -27.94 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.147 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -65.14 -56.7 11.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.99 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -63.08 -35.13 79.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.165 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 62' ' ' MET . 34.8 tt0 -59.68 -55.57 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.812 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -51.36 -45.47 62.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.252 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -60.0 -25.57 65.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -83.89 -60.39 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.445 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 8.2 ptp -59.5 -29.63 67.99 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -59.12 -36.67 75.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.367 . . . . 0.0 110.52 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.5 mtm -85.5 -12.58 51.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.349 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -98.26 9.62 42.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -84.3 -32.2 24.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 69.8 mtm -105.69 138.04 42.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.879 179.935 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.437 ' ND2' ' H ' ' A' ' 5' ' ' HIS . 26.3 p-10 -138.04 -165.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.56 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 39.3 p-90 -118.96 10.08 12.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.3 mm -107.83 -39.68 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.144 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.437 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 47.9 t60 -99.26 -18.42 17.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.88 111.45 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.067 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -89.97 -4.42 57.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.0 t -128.06 107.42 9.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.7 t -170.51 157.66 6.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.475 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -145.53 142.89 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.757 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' HG3' ' HG3' ' A' ' 12' ' ' LYS . 15.9 tppt? -163.36 146.26 10.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.66 ' HE2' ' HB3' ' A' ' 15' ' ' PRO . 37.9 mtmm 64.15 152.73 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.527 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -100.08 -5.42 27.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.478 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 78.2 m -140.16 50.79 2.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.145 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.66 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 96.0 Cg_endo -84.96 24.87 0.73 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.407 2.071 . . . . 0.0 112.646 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -83.01 157.55 22.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 20' ' ' GLN . 8.9 t -86.89 166.32 15.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.38 -34.0 68.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.458 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -69.3 -50.87 42.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.289 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.607 ' H ' HG23 ' A' ' 17' ' ' THR . 25.8 mt-30 -55.32 -45.41 76.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.321 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -74.28 -23.44 59.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.347 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -37.82 83.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.602 ' HB2' HD21 ' A' ' 46' ' ' LEU . 17.9 mm-40 -81.71 -46.35 14.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.981 0.419 . . . . 0.0 111.157 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 20' ' ' GLN . 11.0 mp -61.46 -30.94 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.81 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.92 -30.17 62.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.629 0.252 . . . . 0.0 110.891 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -61.07 -44.53 97.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.641 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -83.74 -31.2 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -50.2 -22.23 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.97 -62.11 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 0.0 111.266 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -106.35 -53.41 2.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.244 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 p30 37.5 29.12 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.482 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 90.8 mmm -77.03 -26.49 53.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -171.81 143.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.564 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.0 mt -134.42 173.52 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.262 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 38' ' ' ARG . 9.6 t -120.34 171.25 8.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.128 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -63.05 -36.98 85.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.501 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -59.47 -36.84 76.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' O ' HG22 ' A' ' 42' ' ' VAL . 16.4 mmt180 -68.97 -52.93 23.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.189 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -51.98 -33.59 38.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -74.38 -58.92 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.06 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 45' ' ' VAL . 12.1 pt-20 -54.51 -43.39 71.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.678 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 38' ' ' ARG . 11.4 m -71.49 -22.59 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.727 0.298 . . . . 0.0 111.112 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.04 -26.85 33.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.906 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -80.01 -30.17 39.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.107 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 41' ' ' GLU . 11.1 m -88.04 -33.3 6.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.279 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.602 HD21 ' HB2' ' A' ' 23' ' ' GLU . 95.2 mt -89.0 1.96 54.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.3 t30 59.44 31.96 21.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.049 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.449 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.2 mt -116.78 179.6 3.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.556 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 10.4 m -101.04 157.36 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.555 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.03 -33.65 57.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -83.33 -28.61 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.556 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 16.0 mm100 -66.83 -37.45 84.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.7 -39.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.03 -48.63 73.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.6 -27.33 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.703 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -60.77 -57.29 13.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -65.42 -33.81 76.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.601 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 62' ' ' MET . 48.8 tp60 -59.35 -46.78 87.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.73 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -58.67 -45.52 89.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.773 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 40.9 mmt180 -60.63 -21.93 63.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.649 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -81.81 -40.82 21.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 33.7 mtt -54.87 -44.4 74.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.3 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.6 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 56.9 pttt -64.63 -32.9 74.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.802 0.334 . . . . 0.0 110.819 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.8 mmt -80.52 -14.6 58.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.778 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -84.2 -26.11 29.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.6 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 61.2 pttt -100.86 -17.86 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.72 123.05 18.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 t30 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.896 -179.845 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.69 0.281 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.525 ' N ' HD22 ' A' ' 2' ' ' ASN . 0.9 OUTLIER 59.74 11.05 2.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.239 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -145.33 -0.47 0.86 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.4 mt -135.76 -34.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.762 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -116.71 -52.8 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.03 99.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -124.36 140.19 53.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p -170.27 126.08 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.5 p -136.91 -4.06 1.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -91.93 115.17 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.792 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? 61.74 -83.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.174 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.7 tptp 64.8 152.01 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -72.18 -53.59 12.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m -139.02 79.15 27.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.736 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -91.56 32.32 0.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.918 2.412 . . . . 0.0 112.656 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -57.91 162.69 3.11 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.368 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 20' ' ' GLN . 8.9 t -99.8 172.52 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.597 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -61.97 -32.22 72.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.652 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -72.05 -52.71 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.496 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.545 ' H ' HG23 ' A' ' 17' ' ' THR . 26.3 mt-30 -55.88 -40.65 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.363 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 17' ' ' THR . 12.2 t -78.18 -23.79 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.31 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -58.86 -43.52 90.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.89 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HB2' HD11 ' A' ' 46' ' ' LEU . 24.0 mm-40 -79.49 -42.79 24.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.37 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.61 -28.73 70.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.649 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 12.0 pt-20 -80.8 -42.53 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.39 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 22' ' ' LEU . 28.7 mtpp -50.93 -38.44 50.24 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.641 0.257 . . . . 0.0 111.213 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.55 -36.5 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.597 ' HA ' HD21 ' A' ' 31' ' ' ASN . 80.1 t80 -51.94 -22.01 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.789 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 25' ' ' GLU . 18.6 mt -61.57 -61.81 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.09 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.524 ' HB3' ' HG3' ' A' ' 32' ' ' MET . 0.1 OUTLIER -105.69 -47.58 3.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.597 HD21 ' HA ' ' A' ' 28' ' ' PHE . 11.7 m120 53.5 34.27 17.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.071 -177.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.524 ' HG3' ' HB3' ' A' ' 30' ' ' PHE . 74.3 mtp -42.31 -37.19 1.45 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.759 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 32' ' ' MET . 75.7 t80 178.08 143.51 0.11 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.741 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.24 115.03 28.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.4 t -117.72 163.84 15.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.247 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.27 -40.68 82.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.625 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -63.47 -26.6 68.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.975 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' H ' HG23 ' A' ' 35' ' ' THR . 31.7 tpt180 -82.45 -52.14 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -58.25 -28.3 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.898 0.38 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -74.79 -56.93 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.467 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.84 -41.46 77.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.449 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 38' ' ' ARG . 14.2 m -72.19 -22.54 21.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.079 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.15 -28.05 32.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' HA ' ' NE ' ' A' ' 44' ' ' ARG . 4.8 mmp_? -74.66 -31.82 62.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.97 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.3 m -88.11 -29.55 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.091 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 23' ' ' GLU . 82.7 mt -93.67 -3.09 53.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.27 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 57.73 34.28 24.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.803 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 28.5 mt -114.43 179.32 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.448 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 12.3 m -92.04 153.84 19.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -61.95 -33.74 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.472 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 1.5 mmp_? -82.53 -25.97 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.53 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 76.1 mt-30 -69.5 -41.67 75.78 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.0 m -63.71 -42.86 97.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 19.7 ptmt -69.57 -51.63 33.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.161 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.414 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 96.1 mt -59.35 -26.89 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 110.639 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.27 -51.44 66.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.641 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -65.05 -39.63 93.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.793 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -54.56 -61.09 2.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.93 -44.33 97.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.797 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -57.57 -21.98 42.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.743 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -83.32 -40.87 18.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.8 mtm -56.0 -46.3 78.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.731 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -55.31 -33.27 63.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 0.0 110.793 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 87.7 mtp -78.94 -23.65 44.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -82.98 2.59 33.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.095 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -106.84 20.52 18.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.097 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 57.7 ttp -161.26 -62.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.771 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.3 t30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.886 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.825 0.345 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -91.24 -42.99 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -122.63 27.49 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.434 ' O ' HG22 ' A' ' 4' ' ' ILE . 12.6 mm 62.99 7.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.079 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -124.43 -9.4 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.815 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 1' ' ' ALA . . . -71.48 101.54 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.315 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -127.22 110.27 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.772 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.9 m -144.05 171.1 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.062 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.6 p -125.26 -173.77 2.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.08 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -122.52 147.2 46.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt 62.23 170.57 0.13 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.286 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 56.84 -168.25 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -133.5 30.41 3.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.948 0.404 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.6 m 53.25 67.85 3.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -84.5 22.0 1.0 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.797 2.331 . . . . 0.0 112.409 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -111.4 171.81 7.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.949 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.738 HG23 ' H ' ' A' ' 20' ' ' GLN . 6.3 t -100.02 161.74 13.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 4.1 mptp? -62.32 -26.09 68.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.582 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.99 -56.58 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.422 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.738 ' H ' HG23 ' A' ' 17' ' ' THR . 13.9 mm100 -49.84 -48.93 50.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.954 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -72.6 -24.24 61.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -42.66 70.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.647 0.261 . . . . 0.0 111.631 -179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.579 ' HB2' HD21 ' A' ' 46' ' ' LEU . 9.3 mm-40 -81.77 -41.39 21.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.15 -31.76 72.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.91 -26.29 63.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.045 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -70.69 -42.73 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.239 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.04 -26.85 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.202 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -53.42 -22.03 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.43 -59.59 5.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.4 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.413 ' O ' ' HG2' ' A' ' 32' ' ' MET . 3.5 t80 -105.26 -52.98 2.74 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.164 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.7 p30 37.65 27.41 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.656 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 20.1 mmt -88.92 -15.35 34.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -177.26 144.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.437 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD11 ' HG2' ' A' ' 38' ' ' ARG . 10.1 tp -143.8 159.0 43.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.993 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.8 t -104.59 158.22 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.24 -37.35 77.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.01 -35.68 71.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.216 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.526 ' HG2' HD11 ' A' ' 34' ' ' LEU . 19.3 tpt180 -78.9 -44.34 22.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.801 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' CZ ' ' HD3' ' A' ' 54' ' ' LYS . 75.6 mtt180 -56.93 -28.76 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.535 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.06 -57.38 4.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.216 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.52 -44.13 89.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.634 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 38' ' ' ARG . 13.0 m -67.57 -23.72 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 111.217 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.26 -26.34 33.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -76.16 -31.2 58.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.073 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 m -87.88 -33.91 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.434 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.579 HD21 ' HB2' ' A' ' 23' ' ' GLU . 77.0 mt -87.63 -1.27 57.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.988 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 m120 59.17 32.43 22.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 19.5 mt -115.62 179.51 3.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.569 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.527 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 17.6 m -101.24 150.27 23.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.537 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.43 -47.56 63.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.53 ' HD2' ' HZ1' ' A' ' 54' ' ' LYS . 15.0 mmm180 -64.51 -40.28 95.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.201 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.527 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 83.0 mm-40 -54.63 -35.7 63.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.335 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.41 -55.67 22.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.338 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HZ1' ' HD2' ' A' ' 51' ' ' ARG . 36.2 mtmm -62.09 -53.72 51.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.339 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.7 mt -55.14 -34.31 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.516 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 52.6 t90 -56.63 -57.67 11.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 110.639 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -68.22 -27.21 66.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.001 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -57.28 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.74 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.481 ' HA ' ' HG3' ' A' ' 62' ' ' MET . 48.8 m-80 -56.68 -43.39 80.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -53.31 -31.17 42.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.245 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -83.15 -33.15 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.497 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.481 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 37.4 mtp -55.4 -45.58 76.66 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -58.8 -34.7 71.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.762 0.315 . . . . 0.0 110.776 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.3 mtt -76.02 -22.49 55.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.046 0.45 . . . . 0.0 110.184 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -90.04 1.53 56.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.487 ' NZ ' ' HB3' ' A' ' 66' ' ' LYS . 4.2 mmmp? -116.82 -10.69 11.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 51.7 tpp -113.73 -49.78 2.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.893 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.632 ' H ' ' HB3' ' A' ' 6' ' ' ALA . 75.9 m-20 58.57 28.27 16.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.073 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -153.88 -29.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 56.9 mt -82.83 -44.8 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.063 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -156.76 -25.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.818 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.632 ' HB3' ' H ' ' A' ' 2' ' ' ASN . . . -73.9 164.79 26.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -131.64 156.45 45.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.9 t -105.83 158.78 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.835 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.461 HG23 ' HG2' ' A' ' 10' ' ' ARG . 8.3 t -152.6 -5.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.097 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' HG2' HG23 ' A' ' 9' ' ' THR . 3.0 mmp_? -119.53 134.93 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -110.56 134.87 52.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 56.3 95.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.379 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -72.42 -57.33 4.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.398 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.0 t -157.88 81.63 3.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.611 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -82.87 25.55 0.68 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.003 2.469 . . . . 0.0 112.401 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -92.43 166.88 12.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.877 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.672 HG23 ' H ' ' A' ' 20' ' ' GLN . 13.9 t -101.44 -176.79 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -81.98 -30.68 31.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -70.95 -43.74 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.672 ' H ' HG23 ' A' ' 17' ' ' THR . 12.4 mm100 -59.33 -57.15 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -62.09 -23.75 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.469 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -61.81 -44.08 97.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.625 ' HB2' HD21 ' A' ' 46' ' ' LEU . 16.9 mm-40 -77.58 -40.67 41.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.918 0.39 . . . . 0.0 111.371 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.38 -32.75 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.461 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.95 -29.36 43.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.991 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 29.9 mmmt -57.13 -42.89 81.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.756 0.313 . . . . 0.0 110.5 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -82.77 -32.86 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.511 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -51.38 -22.05 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.123 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.88 -59.27 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.151 0.5 . . . . 0.0 111.638 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -103.94 -54.46 2.55 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.445 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 p30 36.08 32.89 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.189 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.4 mmt -82.48 -21.27 35.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 111.081 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -171.06 117.89 0.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.667 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.482 HD23 ' HE ' ' A' ' 39' ' ' ARG . 13.6 tp -104.06 145.93 29.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t -120.15 160.45 22.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.182 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -58.16 -36.89 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -61.6 -32.61 72.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' O ' HG13 ' A' ' 42' ' ' VAL . 22.0 tpt180 -80.96 -45.73 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.804 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.482 ' HE ' HD23 ' A' ' 34' ' ' LEU . 81.2 mtt180 -56.77 -29.6 62.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.667 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -72.95 -59.01 2.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.746 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -56.25 -43.66 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.498 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 38' ' ' ARG . 10.4 m -70.39 -21.4 23.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.739 0.304 . . . . 0.0 111.208 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.03 -29.05 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.753 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -74.35 -30.52 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.943 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.6 m -88.07 -31.23 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.591 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 23' ' ' GLU . 86.3 mt -90.32 0.37 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.259 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 59.87 29.99 19.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.068 0.461 . . . . 0.0 110.658 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 21.7 mt -114.66 179.54 3.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.711 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 53' ' ' VAL . 28.2 m -104.2 148.55 26.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.62 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -48.42 -35.85 13.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.051 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -77.28 -51.28 11.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -50.19 -29.27 8.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.71 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 49' ' ' THR . 98.3 t -71.28 -61.6 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.391 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.401 ' NZ ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -59.28 -50.65 73.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.273 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.7 mt -51.6 -38.91 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.064 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -59.35 -47.87 83.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.405 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 64.2 m-85 -66.88 -30.99 71.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 62' ' ' MET . 26.6 mt-30 -65.25 -62.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.646 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -55.47 -52.65 62.93 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -54.99 -25.88 32.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 111.224 -179.473 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -81.51 -37.36 27.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.343 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 58' ' ' GLN . 30.3 mtt -56.18 -43.15 78.14 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 22.7 pttm -57.91 -33.39 68.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.716 0.293 . . . . 0.0 110.954 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.3 mtm -83.93 -17.13 41.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.737 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -99.34 4.6 46.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.465 ' HB2' ' NZ ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -71.14 -33.76 70.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.706 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 95.7 mmm -99.97 167.27 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.488 -0.767 . . . . 0.0 111.034 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.674 0.273 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -115.37 2.35 13.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 63.32 19.02 11.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.9 mt -120.08 -37.73 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -126.55 10.63 7.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.32 -171.07 0.11 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.222 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -85.49 -17.85 35.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -98.78 103.31 15.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.8 m -147.75 111.57 5.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.964 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.44 ' HB2' ' HG2' ' A' ' 12' ' ' LYS . 99.6 mtt180 -113.85 -172.72 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.15 -16.8 62.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.275 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' HG2' ' HB2' ' A' ' 10' ' ' ARG . 21.7 pttp -62.06 118.42 7.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.104 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -173.95 -35.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.561 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . 46.0 t -66.76 -49.01 51.28 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.583 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.561 ' HD3' ' HB3' ' A' ' 14' ' ' CYS . 83.4 Cg_endo -90.93 -100.74 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.563 2.175 . . . . 0.0 112.438 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -76.91 156.06 32.35 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 19' ' ' TYR . 11.8 t -97.79 169.98 9.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -59.99 -23.71 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.441 ' H ' HG23 ' A' ' 17' ' ' THR . 1.7 m-85 -74.24 -52.27 12.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.421 ' H ' HG23 ' A' ' 17' ' ' THR . 54.5 mt-30 -53.12 -48.98 67.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -68.92 -26.42 65.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.303 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -39.98 94.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 111.087 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HB2' HD21 ' A' ' 46' ' ' LEU . 29.8 mm-40 -77.16 -47.97 18.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.672 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.76 -31.88 72.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.736 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.74 -37.25 62.56 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.115 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -55.29 -41.63 72.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.192 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -84.63 -30.74 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.774 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.429 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 72.1 t80 -55.87 -21.01 17.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.153 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.99 -56.8 11.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.319 0.581 . . . . 0.0 111.405 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' C ' ' H ' ' A' ' 32' ' ' MET . 10.9 t80 -83.38 -60.88 2.0 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.106 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.429 ' OD1' ' HA ' ' A' ' 28' ' ' PHE . 9.5 m120 50.22 4.56 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.686 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.497 ' H ' ' C ' ' A' ' 30' ' ' PHE . 63.3 mmm -89.18 -7.16 56.19 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.057 0.455 . . . . 0.0 110.323 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -176.44 148.95 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.224 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.1 tp -138.94 147.66 42.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.012 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 t -117.94 159.74 22.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 111.62 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' HA ' ' HE ' ' A' ' 39' ' ' ARG . 47.3 ttp180 -61.86 -38.02 86.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.312 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.26 -23.81 66.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -83.45 -56.26 3.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.756 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 36' ' ' ARG . 82.2 mtm180 -52.72 -31.24 36.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -73.01 -57.15 4.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.77 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.93 -42.03 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.655 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.5 m -71.23 -21.81 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.338 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.13 -24.84 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.981 0.419 . . . . 0.0 111.103 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -82.07 -30.84 31.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 m -87.96 -30.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.365 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 23' ' ' GLU . 97.3 mt -93.43 0.31 56.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.98 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.4 m120 58.36 34.94 24.46 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.959 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.471 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 24.0 mt -117.35 179.88 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.507 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 27.2 m -100.71 153.44 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.592 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -52.68 -34.48 52.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -80.12 -40.52 27.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.507 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 50.2 mt-30 -50.72 -38.05 45.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.257 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.4 t -53.04 -60.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.251 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -63.05 -38.45 91.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.71 -29.89 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.292 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -65.83 -57.3 8.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -59.63 -35.69 74.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.798 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.54 -48.2 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.494 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.499 ' HA ' ' HG3' ' A' ' 62' ' ' MET . 88.8 m-20 -59.36 -42.95 92.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.0 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -57.0 -26.05 59.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.776 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -83.49 -35.11 25.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.437 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.499 ' HG3' ' HA ' ' A' ' 59' ' ' ASN . 33.6 mtt -54.26 -47.3 72.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.038 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -53.99 -29.8 44.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 110.958 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.6 mmt -85.38 -22.42 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.49 11.97 20.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.688 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -77.54 0.35 23.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.481 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 91.7 mmm -59.55 -56.29 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.878 179.932 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.868 0.366 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -153.69 -63.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.591 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -114.4 -25.89 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.21 -49.19 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.045 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -99.4 -55.66 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.69 107.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.427 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -85.31 157.0 20.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.6 m -145.39 10.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.663 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 m -127.92 143.26 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 168.98 10.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -91.56 -33.72 15.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HD3' ' HG3' ' A' ' 15' ' ' PRO . 98.1 mttt 58.15 -169.73 0.12 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.283 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.59 ' HG3' ' H ' ' A' ' 14' ' ' CYS . 5.0 ptm180 -116.53 -80.34 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.087 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.59 ' H ' ' HG3' ' A' ' 13' ' ' ARG . 98.9 m -149.3 72.86 10.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HG3' ' HD3' ' A' ' 12' ' ' LYS . 74.5 Cg_endo -91.71 26.84 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.877 2.385 . . . . 0.0 112.964 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -69.61 -179.78 1.86 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.779 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.606 HG23 ' H ' ' A' ' 20' ' ' GLN . 14.0 t -87.87 -173.6 4.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.448 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -79.61 -34.1 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.7 -43.42 59.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.681 0.276 . . . . 0.0 111.503 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.637 ' HA ' HD11 ' A' ' 46' ' ' LEU . 49.5 mt-30 -54.91 -56.11 23.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 t -66.32 -22.16 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.468 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -42.9 99.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.413 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG3' HD13 ' A' ' 46' ' ' LEU . 15.4 mm-40 -78.66 -42.58 28.25 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 111.258 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 20' ' ' GLN . 11.1 mp -59.87 -43.57 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.457 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.68 -32.38 74.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.391 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -56.83 -52.36 65.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.62 -22.65 37.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.43 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 83.7 t80 -54.92 -21.3 11.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.382 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.73 -56.69 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 111.358 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.453 ' C ' ' H ' ' A' ' 32' ' ' MET . 14.9 t80 -81.23 -61.38 1.96 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.258 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.575 ' HB3' HH21 ' A' ' 61' ' ' ARG . 10.3 m120 48.11 9.4 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.644 -178.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.453 ' H ' ' C ' ' A' ' 30' ' ' PHE . 56.4 mmm -87.74 -5.86 58.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.973 0.416 . . . . 0.0 110.385 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.2 t80 178.82 153.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.098 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 tp -143.63 148.83 36.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.424 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 38' ' ' ARG . 4.8 t -113.96 157.67 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.328 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG3' HH21 ' A' ' 39' ' ' ARG . 56.2 ttp180 -62.45 -37.97 87.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.512 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.76 -24.63 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.407 ' H ' HG23 ' A' ' 35' ' ' THR . 32.4 tpt180 -81.3 -55.65 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.424 HH21 ' HG3' ' A' ' 36' ' ' ARG . 33.1 mtm180 -50.8 -32.47 20.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -71.69 -59.15 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.924 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.31 -42.57 86.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.821 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 12.8 m -69.77 -22.07 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.5 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.96 -27.28 36.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.965 0.412 . . . . 0.0 110.743 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -75.72 -31.97 59.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.041 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.2 m -88.17 -31.68 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.473 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.637 HD11 ' HA ' ' A' ' 20' ' ' GLN . 1.8 tp -94.38 3.13 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.323 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.549 HD22 ' N ' ' A' ' 47' ' ' ASN . 0.8 OUTLIER 55.95 36.39 27.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.377 179.268 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.552 ' HG ' ' HB3' ' A' ' 46' ' ' LEU . 30.0 mt -114.3 179.41 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.864 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.504 ' HB ' ' HG3' ' A' ' 52' ' ' GLN . 16.9 m -97.28 151.93 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.739 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -53.27 -39.3 63.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.342 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -73.29 -42.14 62.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.394 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.504 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 27.6 mt-30 -55.44 -23.64 26.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.674 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' A' ' 39' ' ' ARG . 44.5 t -71.17 -62.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.743 0.306 . . . . 0.0 111.45 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -61.26 -43.03 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.729 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.81 -39.31 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.394 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.448 ' HE1' ' NH2' ' A' ' 60' ' ' ARG . 66.6 t-105 -56.39 -57.4 12.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.135 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -61.83 -30.83 71.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -57.42 -49.91 74.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -57.55 -44.72 85.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.448 ' NH2' ' HE1' ' A' ' 56' ' ' TRP . 70.1 mtt180 -55.92 -26.54 48.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.575 HH21 ' HB3' ' A' ' 31' ' ' ASN . 38.6 mmt180 -82.68 -31.94 28.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.997 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.7 mtp -65.43 -41.07 93.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.713 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 60' ' ' ARG . 21.9 pttm -60.17 -31.25 69.94 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.778 0.323 . . . . 0.0 110.952 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 79.6 mtp -85.76 -12.2 51.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.623 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -105.99 5.1 30.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.816 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -105.77 -31.48 8.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 55.2 ttp -56.76 140.12 48.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.832 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.781 0.324 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.423 ' HB2' ' HB3' ' A' ' 5' ' ' HIS . 30.3 m-80 -91.14 18.81 6.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.756 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 72.7 t90 62.62 99.81 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.4 mm 58.58 61.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 2' ' ' ASN . 41.3 t60 -166.36 -58.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.912 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.51 109.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.238 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -136.91 -68.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -61.49 -30.11 70.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.8 p -130.09 169.64 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.373 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 63.46 168.75 0.15 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.19 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm 61.71 30.1 18.33 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -75.66 144.2 41.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -108.01 -74.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.474 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 72.9 m -144.81 60.21 7.07 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.03 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HD3' ' N ' ' A' ' 14' ' ' CYS . 72.5 Cg_endo -91.9 28.54 0.37 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.898 2.399 . . . . 0.0 112.817 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.518 ' HA ' ' NE2' ' A' ' 20' ' ' GLN . 6.4 p90 -93.27 151.53 19.74 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.362 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.785 HG23 ' H ' ' A' ' 20' ' ' GLN . 9.8 t -100.22 162.56 12.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -59.72 -33.02 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.815 -179.219 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -73.47 -51.45 17.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 0.0 111.755 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.785 ' H ' HG23 ' A' ' 17' ' ' THR . 6.1 pt20 -57.92 -36.61 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.555 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -80.22 -24.05 40.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -61.79 -37.62 85.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.005 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HB2' HD21 ' A' ' 46' ' ' LEU . 19.0 mm-40 -82.76 -46.59 12.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.339 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.95 -29.73 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.456 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 12.7 pt-20 -75.7 -33.45 60.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.639 0.257 . . . . 0.0 110.702 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -57.46 -40.6 78.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -86.6 -30.2 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.58 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -51.07 -22.34 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.326 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.95 -58.6 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 0.0 111.18 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -105.08 -55.9 2.25 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.195 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 p30 38.11 28.31 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.662 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.6 mmt -81.36 -20.93 39.53 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.78 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -168.33 149.56 4.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.403 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HG2' ' A' ' 39' ' ' ARG . 12.0 tp -141.84 147.81 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.865 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -118.59 168.15 10.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -55.74 -30.51 61.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.323 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.49 -49.69 76.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.789 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.42 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 22.8 mmt180 -73.59 -50.4 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.416 ' HG2' HD23 ' A' ' 34' ' ' LEU . 52.3 mtp180 -47.89 -37.81 14.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.424 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -71.77 -59.04 2.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.113 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 10.9 pt-20 -55.73 -43.75 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 38' ' ' ARG . 6.3 m -71.59 -20.94 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.373 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.03 -28.8 32.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.986 0.422 . . . . 0.0 111.038 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -80.03 -28.47 39.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.418 HG23 ' HG ' ' A' ' 46' ' ' LEU . 14.6 m -88.2 -32.18 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.241 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 23' ' ' GLU . 94.5 mt -93.52 2.26 56.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.019 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 58.0 33.69 23.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.637 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.6 mt -114.35 179.11 4.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.833 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 53' ' ' VAL . 23.5 m -93.68 149.43 21.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -54.87 -35.29 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.314 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -81.11 -40.47 24.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.321 -179.646 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -57.04 -21.52 31.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.448 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 49' ' ' THR . 92.1 t -72.21 -59.81 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.693 0.283 . . . . 0.0 111.209 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -61.33 -37.3 82.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.058 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.428 HG22 ' ND2' ' A' ' 59' ' ' ASN . 80.8 mt -68.35 -29.25 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.961 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -62.96 -46.57 87.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -71.12 -40.38 71.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -57.85 -54.5 46.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.121 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.494 ' HA ' ' HE2' ' A' ' 62' ' ' MET . 95.1 m-20 -53.66 -46.9 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -56.44 -26.35 53.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.272 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -84.04 -45.22 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.658 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.494 ' HE2' ' HA ' ' A' ' 59' ' ' ASN . 40.2 mtm -51.53 -42.36 61.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.074 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' ' HG3' ' A' ' 64' ' ' MET . 11.2 ptmm? -58.65 -36.64 74.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.631 0.253 . . . . 0.0 111.09 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.406 ' HG3' ' HG3' ' A' ' 63' ' ' LYS . 68.9 mtm -85.23 -14.68 45.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -92.82 -15.45 26.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -73.84 -30.09 62.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 20.9 ptp -99.16 166.99 10.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.8 m120 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.358 -0.83 . . . . 0.0 111.215 179.863 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -140.17 -65.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -153.87 94.72 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 4' ' ' ILE . 12.1 mm 56.83 17.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.131 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -87.5 -38.15 16.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.69 107.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.707 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 58.99 102.14 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.302 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.5 p -76.08 171.86 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 t -71.97 162.01 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 5.9 mmp_? -88.86 17.75 5.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.073 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -114.11 -67.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.702 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt 56.65 95.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.33 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -90.06 -72.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.573 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.3 m -149.66 67.72 8.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.768 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.13 19.62 1.34 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.438 2.092 . . . . 0.0 112.955 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -109.07 158.97 17.25 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.166 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.4 p -79.82 164.89 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.882 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.11 -17.89 64.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.545 178.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.21 -39.99 20.23 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -64.79 -37.42 87.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.274 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -82.31 -23.72 35.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.403 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -65.51 -42.22 92.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.233 -179.827 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.58 ' HB2' HD21 ' A' ' 46' ' ' LEU . 23.8 mm-40 -83.32 -46.12 12.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.694 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 28' ' ' PHE . 9.0 mp -61.35 -28.26 69.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 10.8 pt-20 -72.33 -34.71 68.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.772 0.32 . . . . 0.0 111.136 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.52 -39.55 94.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -86.17 -28.3 24.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 74.9 t80 -52.03 -22.35 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.71 -61.92 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.295 0.569 . . . . 0.0 110.847 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' O ' ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -105.64 -54.62 2.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.369 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 p30 40.33 22.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.594 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 30' ' ' PHE . 85.2 mmm -89.86 -13.83 35.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 110.828 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -173.42 148.91 1.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.566 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.4 mt -141.29 172.77 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.105 0.478 . . . . 0.0 111.554 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 38' ' ' ARG . 1.7 t -120.87 160.87 22.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -54.88 -36.74 65.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.06 -51.6 68.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.29 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.446 ' H ' HG23 ' A' ' 35' ' ' THR . 23.5 mmt180 -63.03 -54.69 34.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 39' ' ' ARG . 47.8 mtp180 -48.17 -35.67 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.384 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -73.93 -58.97 2.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 45' ' ' VAL . 12.6 pt-20 -55.63 -42.35 74.83 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 38' ' ' ARG . 5.3 m -73.21 -22.31 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.536 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.02 -28.63 32.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.902 0.382 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -79.33 -28.26 42.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 41' ' ' GLU . 18.4 m -87.93 -34.17 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.362 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 23' ' ' GLU . 94.8 mt -90.66 1.75 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 60.02 31.37 20.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.7 mt -111.14 179.0 4.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.785 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.556 ' HB ' ' HG2' ' A' ' 52' ' ' GLN . 19.7 m -102.05 146.88 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.755 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -50.65 -34.74 27.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.282 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.53 -35.31 30.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.33 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.556 ' HG2' ' HB ' ' A' ' 49' ' ' THR . 26.2 mm-40 -61.98 -22.01 65.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.743 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.54 -50.26 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 111.549 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -67.73 -30.56 70.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.607 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.7 mt -79.33 -32.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.631 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 9.0 t90 -61.63 -57.32 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.951 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -65.59 -35.82 81.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -57.73 -49.35 76.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.73 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -53.97 -46.58 71.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -57.57 -27.22 62.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -82.92 -41.6 18.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.495 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.9 mtm -54.08 -46.0 71.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.623 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.64 -29.42 69.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.735 0.302 . . . . 0.0 110.817 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.5 mtp -85.64 -15.95 40.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -83.54 -45.03 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.46 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 63' ' ' LYS . 22.3 pttp -71.25 -18.92 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.729 0.299 . . . . 0.0 111.215 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.48 ' HG3' ' HG3' ' A' ' 66' ' ' LYS . 85.3 mtp -116.43 112.55 21.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.225 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.5 m120 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.86 179.882 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -161.38 -66.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -160.76 -23.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.9 pt -55.83 -32.56 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -157.85 9.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 130.28 43.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -117.33 129.65 56.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.5 p -169.18 105.49 0.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.794 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.5 p -119.21 103.75 9.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.442 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 59.4 108.22 0.02 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.47 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -107.99 -35.9 6.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.516 ' HG2' ' H ' ' A' ' 14' ' ' CYS . 41.7 ttmt -67.52 136.2 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.794 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -115.11 37.0 3.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.093 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.538 ' H ' ' HD3' ' A' ' 15' ' ' PRO . 73.9 m -93.72 -39.83 0.32 Allowed Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.172 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.538 ' HD3' ' H ' ' A' ' 14' ' ' CYS . 2.5 Cg_endo -85.6 29.51 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.647 2.231 . . . . 0.0 112.449 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -55.31 164.78 0.87 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.995 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 20' ' ' GLN . 6.2 t -98.78 168.87 9.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 3.8 mptp? -62.13 -27.18 68.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -71.66 -47.69 52.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.243 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.556 ' H ' HG23 ' A' ' 17' ' ' THR . 19.4 mm-40 -54.04 -56.95 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -64.83 -23.54 67.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.811 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -41.78 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.402 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.487 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.7 mm-40 -82.78 -42.48 17.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.501 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.24 -34.45 76.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.737 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.17 -32.77 70.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.662 0.268 . . . . 0.0 111.231 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -61.48 -42.36 98.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -86.62 -26.64 24.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.995 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -53.42 -21.74 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.134 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.2 mt -62.32 -56.68 16.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.186 0.517 . . . . 0.0 111.283 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 32' ' ' MET . 19.6 t80 -105.2 -55.84 2.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.984 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 p30 34.71 28.17 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.821 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -98.84 -9.11 24.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.439 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.5 t80 175.87 128.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.398 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.7 mt -128.11 176.06 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.958 0.409 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.448 HG23 ' H ' ' A' ' 38' ' ' ARG . 9.7 t -120.0 168.83 10.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.656 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -60.05 -35.94 76.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.723 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.05 -39.22 91.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.361 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.448 ' H ' HG23 ' A' ' 35' ' ' THR . 12.9 mmt180 -76.15 -56.91 4.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.257 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.467 ' HD3' ' HD3' ' A' ' 54' ' ' LYS . 94.6 mtt180 -52.04 -30.35 25.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.45 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -76.53 -58.77 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.913 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 45' ' ' VAL . 11.7 pt-20 -54.04 -40.41 67.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.657 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 38' ' ' ARG . 11.9 m -73.59 -26.81 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.223 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.3 -26.2 33.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -76.55 -30.48 57.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.032 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 41' ' ' GLU . 12.5 m -87.96 -32.5 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.301 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 23' ' ' GLU . 95.9 mt -90.06 -0.63 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.761 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 58.8 32.19 21.97 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 26.5 mt -113.01 179.66 3.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.707 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 m -91.54 155.59 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.714 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.36 -37.28 82.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.528 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 62.4 mtt180 -85.76 -33.52 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.929 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -65.19 -30.79 71.72 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.87 -43.51 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.467 ' HD3' ' HD3' ' A' ' 39' ' ' ARG . 46.7 pttt -70.24 -47.5 61.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.574 0.226 . . . . 0.0 111.46 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.82 -29.56 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.148 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -63.63 -52.3 61.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.029 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -63.13 -41.41 99.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.277 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -53.2 -61.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.79 -46.33 87.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.553 ' HD3' ' HD3' ' A' ' 63' ' ' LYS . 23.3 tpp180 -55.96 -25.34 43.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.3 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -81.79 -47.7 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.372 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.5 mtp -51.06 -47.19 61.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.612 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HD3' ' HD3' ' A' ' 60' ' ' ARG . 22.2 ptmt -61.43 -34.52 75.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.033 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.3 mtm -80.41 -12.85 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.651 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -87.94 -30.88 19.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -112.46 17.5 19.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.7 mpt? 62.56 -82.87 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.453 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.902 -179.878 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.653 0.263 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 60.46 17.61 7.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -138.23 -58.96 0.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.021 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 pt -117.22 -8.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.453 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -108.3 5.88 26.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.786 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.65 174.38 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.292 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -100.73 -156.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.673 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.1 p -49.9 139.0 14.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.797 0.332 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.0 p -59.45 122.24 13.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.311 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -105.21 -173.24 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -89.64 113.27 24.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' HB3' ' HB3' ' A' ' 15' ' ' PRO . 22.5 tptm -89.72 156.92 18.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -62.93 -59.08 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.6 m -129.41 75.35 80.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 74.3 Cg_endo -89.93 31.42 0.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.966 2.444 . . . . 0.0 112.613 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -54.9 155.94 4.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.499 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.584 HG22 HE21 ' A' ' 20' ' ' GLN . 15.1 t -100.11 178.8 4.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.71 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -71.25 -33.75 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -66.75 -50.3 63.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.288 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.584 HE21 HG22 ' A' ' 17' ' ' THR . 46.5 mt-30 -59.77 -51.52 69.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.596 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 17' ' ' THR . 9.9 t -63.24 -24.0 67.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.38 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -65.14 -49.69 68.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.041 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HB2' HD21 ' A' ' 46' ' ' LEU . 16.8 mm-40 -64.84 -43.51 92.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.304 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.31 -38.81 85.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.91 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 10.5 pt-20 -71.13 -30.55 66.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.646 0.26 . . . . 0.0 110.994 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -59.87 -46.92 87.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -83.82 -28.87 27.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -48.52 -21.96 0.66 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.599 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.9 mt -64.56 -59.7 4.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.265 0.555 . . . . 0.0 110.95 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' MET . 23.5 t80 -105.19 -58.08 1.94 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.908 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 p30 35.72 25.7 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.777 -178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' PHE . 35.5 mtm -105.55 -3.22 22.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.013 0.435 . . . . 0.0 110.997 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -173.59 118.59 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.075 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.44 HD11 ' NE ' ' A' ' 39' ' ' ARG . 3.0 pp -143.82 -178.99 6.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.328 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 t -115.29 163.16 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.139 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -59.66 -35.12 73.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -60.8 -31.97 71.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 42' ' ' VAL . 10.3 mmt180 -67.93 -56.33 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NE ' HD11 ' A' ' 34' ' ' LEU . 93.2 mtt180 -52.91 -29.69 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.384 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -76.65 -59.03 2.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.621 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -54.75 -42.2 71.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.476 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 38' ' ' ARG . 10.5 m -71.21 -26.71 27.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.107 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -82.32 -25.71 33.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.01 0.433 . . . . 0.0 110.985 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.91 -32.22 63.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -88.38 -26.47 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.23 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 23' ' ' GLU . 88.5 mt -92.74 -2.08 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m120 59.66 32.83 21.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.165 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 22.1 mt -117.91 179.57 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 53' ' ' VAL . 27.3 m -101.79 147.07 26.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.701 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -50.29 -40.58 48.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.879 0.371 . . . . 0.0 111.007 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -65.36 -53.1 48.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -55.83 -25.93 44.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.538 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 49' ' ' THR . 70.3 t -72.88 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.707 0.289 . . . . 0.0 111.517 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.07 -45.25 91.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.775 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.2 mt -61.21 -33.18 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.535 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -61.34 -55.83 27.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.116 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -62.31 -43.98 97.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.438 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -53.65 -54.34 39.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.538 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -54.13 -45.49 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.253 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -59.18 -23.56 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.224 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -83.16 -45.77 13.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.315 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.3 mtp -51.33 -47.88 62.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.657 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -57.74 -34.11 69.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 62.1 mtt -77.86 -24.54 48.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.538 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 65' ' ' LYS . 4.0 mmmp? -82.76 0.65 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.754 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -84.6 -26.1 28.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.093 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -123.76 -31.51 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.054 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.329 -0.843 . . . . 0.0 110.926 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -155.02 -49.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.742 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -107.55 -22.65 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.731 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.34 -46.59 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.042 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -153.75 -6.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.73 -81.3 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.419 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -147.82 119.36 7.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -133.43 141.65 47.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.7 m -101.33 -13.97 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -99.76 154.42 18.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.114 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -76.8 151.5 35.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.832 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -167.14 32.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.66 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 62.1 23.53 13.9 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.596 ' H ' ' HD2' ' A' ' 15' ' ' PRO . 48.6 t -137.6 -49.8 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.536 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.596 ' HD2' ' H ' ' A' ' 14' ' ' CYS . 70.6 Cg_endo -87.53 29.38 0.48 Allowed 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.315 2.01 . . . . 0.0 112.264 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' HB2' ' HB2' ' A' ' 20' ' ' GLN . 3.3 p90 -57.38 164.06 2.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.57 ' H ' HE21 ' A' ' 20' ' ' GLN . 9.5 t -90.99 169.64 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -57.2 -30.57 64.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -67.91 -49.58 61.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.172 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.57 HE21 ' H ' ' A' ' 17' ' ' THR . 49.1 mt-30 -59.38 -53.19 60.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.458 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -63.07 -23.76 67.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.447 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -61.9 -47.94 82.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.608 ' HB2' HD21 ' A' ' 46' ' ' LEU . 14.6 mm-40 -73.18 -39.14 65.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.13 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.43 -35.25 80.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.42 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 11.9 pt-20 -78.04 -28.09 48.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.865 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 25.7 mmmt -59.67 -43.05 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.839 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -84.62 -34.69 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.565 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -48.64 -22.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.251 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.63 -61.37 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.209 0.528 . . . . 0.0 111.032 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -105.53 -55.15 2.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.269 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 p30 34.9 30.99 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.685 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 89.8 mmm -76.45 -28.18 56.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.788 0.328 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -177.56 144.19 0.38 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.87 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.3 mt -143.87 178.99 7.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.031 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -120.14 166.05 13.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -56.78 -36.9 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.09 0.472 . . . . 0.0 110.481 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.0 -34.21 67.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.819 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' O ' HG13 ' A' ' 42' ' ' VAL . 15.3 mmt180 -77.39 -52.9 8.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.06 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -53.61 -30.1 41.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -74.29 -57.19 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.638 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.95 -46.02 85.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.583 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 38' ' ' ARG . 11.3 m -65.31 -25.82 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.487 ' HB1' ' O ' ' A' ' 48' ' ' LEU . . . -80.99 -25.98 36.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -71.44 -34.96 70.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.793 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.4 m -88.02 -26.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.446 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 23' ' ' GLU . 81.2 mt -95.17 -2.44 49.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.221 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 58.36 32.45 22.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.487 ' O ' ' HB1' ' A' ' 43' ' ' ALA . 28.8 mt -111.55 179.73 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.739 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.6 m -99.28 151.28 21.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -55.08 -35.16 64.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -85.79 -34.74 21.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -57.63 -39.26 76.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.617 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 54' ' ' LYS . 30.6 m -68.11 -44.24 84.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.749 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 53' ' ' VAL . 54.5 mtmt -66.46 -49.43 66.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.742 0.306 . . . . 0.0 110.785 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 98.2 mt -56.7 -27.85 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.466 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -63.6 -52.67 59.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.564 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -62.37 -39.4 93.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -48.95 -57.07 7.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.361 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -57.53 -44.46 85.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.242 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -56.42 -23.16 36.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.233 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -83.53 -47.15 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.942 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.5 mtp -51.57 -49.22 62.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.34 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -56.7 -32.68 65.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.966 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.0 mtt -80.88 -24.73 38.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.628 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -77.55 -11.57 59.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.601 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -116.13 -3.9 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.679 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 51.3 ttm 61.49 -83.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.993 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.712 179.782 . . . . . . . . 0 0 . 1 stop_ save_