data_1yww_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 1yww _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.234 0.262 0 CA-C-O 121.176 0.512 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -74.22 -43.5 50.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.187 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -63.88 -26.56 68.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.59 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.3 -51.76 9.54 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.363 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 73.5 mmtt -100.52 29.19 4.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.527 0.203 . . . . 0.0 110.621 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.613 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 62.3 t-105 -55.59 -56.31 21.84 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -170.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -70.51 -6.93 39.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.198 0.523 . . . . 0.0 111.019 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.51 -39.2 9.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.637 175.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 93.7 mt -76.78 -16.86 59.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.663 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.485 HG21 ' O ' ' A' ' 10' ' ' TRP . 8.3 p -47.63 -50.23 25.03 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.363 0.415 . . . . 0.0 111.789 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.76 -36.68 93.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.548 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -73.88 -30.1 62.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.921 0.391 . . . . 0.0 110.641 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 13' ' ' LEU . 79.4 mt -72.03 -41.74 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.288 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.739 ' HD2' ' HB2' ' A' ' 26' ' ' ASP . 85.8 tttt -63.12 -31.93 73.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.368 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.45 -43.07 61.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.118 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -65.17 -47.27 77.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.355 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.52 ' HB3' ' HH ' ' A' ' 47' ' ' TYR . 5.6 m-90 -120.76 100.73 7.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.981 177.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.68 -25.85 71.81 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.981 -0.554 . . . . 0.0 113.442 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.52 ' OD2' ' HB3' ' A' ' 46' ' ' ARG . 33.8 t70 -72.39 -20.34 61.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 111.343 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 mt -78.1 126.93 31.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.247 0.546 . . . . 0.0 110.82 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.422 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 5.7 m -79.81 127.37 32.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.679 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.739 ' HB2' ' HD2' ' A' ' 18' ' ' LYS . 19.1 t70 -56.7 -43.7 80.78 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.963 0.411 . . . . 0.0 110.924 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.95 -36.35 72.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.148 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.78 -36.76 67.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 25' ' ' THR . 72.5 mt -68.96 -47.55 65.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.957 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -75.51 46.47 0.35 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.27 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.83 -91.21 0.32 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.96 -79.64 0.33 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.472 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 4.6 m-20 -51.78 -48.61 63.71 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -168.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.613 ' HA2' ' CE2' ' A' ' 10' ' ' TRP . . . 77.85 -59.58 3.83 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.814 -0.708 . . . . 0.0 114.547 172.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.456 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 24.1 p-80 -50.58 165.11 0.11 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -174.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 39' ' ' LEU . . . -44.98 -43.03 8.76 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -170.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.456 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 11.5 mm-40 -61.5 -20.25 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.472 ' CD1' ' HB2' ' A' ' 33' ' ' ASP . 43.7 t80 -81.34 -32.93 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 36' ' ' ALA . 7.4 mp -61.33 -47.31 86.48 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 90.1 t -55.66 -44.97 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.365 177.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.15 -44.83 96.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.59 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -72.75 -32.73 65.87 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.743 -0.269 . . . . 0.0 111.458 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 92.9 mt -65.48 -34.2 77.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 110.099 175.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 14.5 mm100 -74.2 -40.12 62.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.266 175.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.77 -49.16 69.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.793 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.52 ' HB3' ' OD2' ' A' ' 23' ' ' ASP . 18.2 mmm180 -77.62 -65.08 1.01 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.437 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.52 ' HH ' ' HB3' ' A' ' 21' ' ' TRP . 87.6 m-85 -80.4 -74.01 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.944 0.402 . . . . 0.0 110.763 -177.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.14 66.18 0.65 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.591 -175.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -103.17 -168.6 1.53 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.6 p -86.31 148.65 25.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 164.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HG3' HG13 ' A' ' 40' ' ' VAL . 82.3 tttt -59.0 -36.67 75.32 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.854 -177.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.0 -40.64 96.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.001 0.429 . . . . 0.0 110.842 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -67.43 -40.09 85.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.908 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.44 -46.69 87.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.365 176.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 47.7 mt-10 -52.82 -46.12 67.58 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -60.18 -44.73 94.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.128 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 10.4 mm-40 -72.4 -35.07 68.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 54' ' ' ALA . 73.6 t -64.29 -44.0 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 110.719 176.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 59' ' ' ARG . 69.5 mtm-85 -71.65 -23.59 61.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.763 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 57' ' ' GLU . 9.8 t70 -63.39 -45.89 88.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.891 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.451 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 90.0 t80 -65.25 -36.15 83.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.161 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.6 m -64.98 -31.07 72.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.595 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.81 -28.4 65.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.363 0.602 . . . . 0.0 110.051 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -79.54 -8.36 59.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.77 -179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 81.6 mt . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.59 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 m . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.08 -43.04 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.152 0.501 . . . . 0.0 109.987 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -53.34 -33.79 54.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.491 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.95 -45.7 4.73 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.773 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HD2' ' OE1' ' A' ' 12' ' ' GLN . 33.9 mmtp -93.0 30.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.514 -0.403 . . . . 0.0 110.703 -176.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -51.2 -59.79 3.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.645 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -67.33 -24.89 65.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.262 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.432 ' OE1' ' HD2' ' A' ' 9' ' ' LYS . 51.9 mt-30 -75.43 -37.96 60.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.146 0.498 . . . . 0.0 110.03 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.26 3.28 36.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.072 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.2 p -54.37 -51.94 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.069 0.461 . . . . 0.0 111.332 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.98 -25.73 75.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.454 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -77.15 -40.08 46.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.034 0.445 . . . . 0.0 110.116 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.493 HG21 ' CZ3' ' A' ' 21' ' ' TRP . 87.7 mt -64.49 -37.46 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.773 174.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 29.3 ttpp -67.2 -22.12 65.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.579 176.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -86.12 -41.96 14.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.95 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -61.63 -51.39 68.69 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.31 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.493 ' CZ3' HG21 ' A' ' 17' ' ' ILE . 12.0 m-90 -92.85 -42.85 9.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.865 0.364 . . . . 0.0 111.161 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 18' ' ' LYS . . . 100.42 -50.78 1.05 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.123 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.83 -8.71 59.56 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -173.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.0 mt -78.93 108.52 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.025 0.44 . . . . 0.0 110.607 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 1.2 p -68.44 124.94 24.93 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.768 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 9.1 p-10 -64.72 -23.79 67.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.822 -177.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.89 -38.61 82.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.381 0.61 . . . . 0.0 109.704 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.527 ' O ' ' HE2' ' A' ' 42' ' ' LYS . 6.5 m-20 -86.55 -11.84 50.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.569 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 25' ' ' THR . 97.0 mt -89.15 -28.74 19.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.698 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 26' ' ' ASP . 55.6 mt-30 -67.35 97.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.5 -164.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.692 -172.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.13 -76.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.215 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -92.32 154.43 18.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.844 0.354 . . . . 0.0 111.797 -176.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -113.04 8.58 25.22 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.914 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.14 146.69 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.579 0.228 . . . . 0.0 111.071 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.504 ' HA ' HD12 ' A' ' 39' ' ' LEU . . . -53.09 -32.05 45.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.337 -174.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.49 -23.12 64.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -77.1 -38.35 52.45 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.972 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 36' ' ' ALA . 7.0 mp -58.99 -43.44 91.43 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.604 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 92.6 t -54.42 -46.26 70.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.533 176.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.73 -45.3 95.02 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.711 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.527 ' HE2' ' O ' ' A' ' 28' ' ' ASP . 40.1 mmtm -73.99 -30.41 62.47 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.683 -0.304 . . . . 0.0 111.464 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 86.4 mt -64.73 -35.99 82.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.228 174.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.604 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 13.1 mm100 -71.58 -35.22 70.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.123 0.487 . . . . 0.0 109.909 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.96 -39.42 87.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.877 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -87.57 -59.97 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -91.66 -71.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.958 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.34 75.44 1.07 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -173.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -106.12 -168.83 1.49 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.973 0.416 . . . . 0.0 110.234 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -80.63 150.0 29.63 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 170.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.527 ' HD2' HG13 ' A' ' 40' ' ' VAL . 29.2 tptp -50.87 -50.82 56.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 0.0 110.9 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 31.0 tt0 -69.47 -35.5 75.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.15 99.24 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.458 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.82 -41.8 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.331 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -60.27 -45.01 94.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.904 177.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 27.8 mt-30 -58.24 -37.7 75.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.988 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.03 -35.7 69.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.494 HG11 HD23 ' A' ' 39' ' ' LEU . 58.0 t -68.2 -36.6 75.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.519 0.676 . . . . 0.0 109.593 174.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -64.62 -37.81 88.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.761 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.479 ' CG ' HH22 ' A' ' 64' ' ' ARG . 13.1 t70 -58.55 -46.72 86.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.305 175.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.77 -30.53 70.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.075 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.2 m -73.84 -25.63 60.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.253 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -72.14 -32.85 67.29 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.13 0.491 . . . . 0.0 110.96 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.479 HH22 ' CG ' ' A' ' 60' ' ' ASP . 7.1 mtm180 -125.19 36.79 4.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.272 -177.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.296 -0.859 . . . . 0.0 108.777 176.819 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.225 -0.229 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.6 mm -91.9 -37.07 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 110.455 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HG2' ' HB3' ' A' ' 35' ' ' HIS . 37.5 mtmm -72.95 -16.36 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.24 131.3 10.58 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.64 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 67.02 28.82 8.31 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -47.99 -48.72 32.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.263 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -74.14 -4.65 37.06 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.733 -0.387 . . . . 0.0 112.016 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -98.5 -17.31 18.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.542 0.686 . . . . 0.0 109.66 174.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.48 -4.75 57.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.211 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -56.65 -53.99 51.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.381 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.24 -27.07 71.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.183 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 45.1 tptt -73.12 -39.97 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.985 0.422 . . . . 0.0 110.583 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.439 HG22 ' CE3' ' A' ' 21' ' ' TRP . 79.0 mt -70.81 -44.15 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.147 0.499 . . . . 0.0 110.333 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.89 -35.52 76.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.235 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.05 -34.95 72.52 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.003 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -84.69 -68.35 0.73 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.763 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.474 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 4.4 m-90 -82.26 -24.83 34.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -169.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.15 -58.7 3.98 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.86 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.13 -31.0 72.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.949 0.374 . . . . 0.0 111.045 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.5 mt -67.02 111.26 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.6 p -79.04 149.57 32.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.307 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -68.43 -18.34 64.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.32 -51.26 69.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.298 172.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -62.26 -40.69 97.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.128 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.47 -21.54 60.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.118 -176.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -87.49 20.07 3.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.507 0.67 . . . . 0.0 110.433 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.52 -76.69 0.56 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.472 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.34 -165.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -168.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -69.19 0.2 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.495 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.58 110.26 2.23 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.557 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.52 ' ND1' ' HB3' ' A' ' 37' ' ' GLU . 1.9 p80 -173.63 157.57 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.23 -37.64 64.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.301 0.572 . . . . 0.0 111.227 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.52 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 36.2 tt0 -60.47 -33.52 72.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.026 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.466 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 77.6 t80 -74.49 -32.27 62.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.221 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 10.7 mp -59.7 -45.93 90.63 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.302 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.5 -45.11 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.326 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.95 -45.46 95.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.219 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -60.78 -41.25 95.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.693 0.283 . . . . 0.0 111.061 178.01 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 93.4 mt -65.43 -35.93 82.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 13.4 mm-40 -75.12 -38.27 61.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.042 0.449 . . . . 0.0 110.609 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.04 -44.18 77.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.047 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.659 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -83.25 -58.21 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.408 -179.341 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -86.29 -67.22 0.83 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.169 0.509 . . . . 0.0 111.423 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.45 53.77 1.79 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.474 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 20.5 m0 -82.92 179.84 7.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 110.902 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -66.55 143.56 56.97 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 168.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -62.1 -42.78 99.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -169.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -29.43 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.531 -177.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ttm-85 -65.92 -48.11 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.515 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.496 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -59.54 -50.72 72.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.7 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.24 -43.25 95.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.919 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.36 -40.81 95.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.261 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.5 -33.1 74.93 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.899 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.496 HG21 ' O ' ' A' ' 54' ' ' ALA . 98.9 t -64.38 -45.17 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.421 . . . . 0.0 110.035 174.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -61.89 -42.96 99.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.855 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.9 -43.3 99.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.464 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 87.2 t80 -57.33 -46.26 83.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.604 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -68.89 -29.57 67.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.16 -37.8 84.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.984 0.421 . . . . 0.0 110.853 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -91.29 14.0 15.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.317 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.599 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.0 mm -78.09 -20.42 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.457 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -70.03 -24.04 63.21 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.499 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.9 140.56 15.48 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.653 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.8 mttp 69.88 17.11 7.61 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.008 0.523 . . . . 0.0 110.639 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.499 ' O ' HG23 ' A' ' 14' ' ' THR . 60.2 t-105 -50.47 -41.84 53.64 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.579 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -54.84 -39.34 68.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.6 tm0? -86.91 -35.45 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.991 -177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 87.8 mt -61.19 -26.31 67.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.862 -177.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.52 HG22 ' HB2' ' A' ' 30' ' ' GLN . 42.9 p -50.34 -39.93 47.67 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.746 0.308 . . . . 0.0 111.691 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.95 -39.65 98.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.54 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.95 -29.65 58.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.904 0.383 . . . . 0.0 110.688 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 13' ' ' LEU . 70.5 mt -67.15 -42.54 88.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.32 0.581 . . . . 0.0 109.749 174.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HD2' ' HA2' ' A' ' 22' ' ' GLY . 21.0 tptm -65.03 -38.35 90.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.926 174.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.3 -43.07 82.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.847 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -71.18 -69.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.975 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.441 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . 15.5 m-90 -85.47 -44.6 12.59 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -168.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' HA2' ' HD2' ' A' ' 18' ' ' LYS . . . 85.04 -43.87 3.31 Favored Glycine 0 C--N 1.313 -0.722 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.296 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 6.5 m-20 -67.75 -23.28 65.22 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.914 0.357 . . . . 0.0 111.008 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.9 mt -74.6 109.53 8.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.226 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.715 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -57.71 128.99 39.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.225 175.698 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.74 -30.91 69.64 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.244 -0.285 . . . . 0.0 110.864 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -69.88 -22.6 63.22 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.037 0.446 . . . . 0.0 110.301 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.715 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 2.4 t70 -78.93 -41.1 30.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.644 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -74.03 -48.83 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.069 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.52 ' HB2' HG22 ' A' ' 14' ' ' THR . 10.4 tt0 -79.99 87.42 5.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.24 0.543 . . . . 0.0 109.739 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.73 -66.44 0.13 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.18 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.37 -153.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.94 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.35 -70.04 0.16 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.275 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.15 -20.51 3.77 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.802 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -46.91 142.3 3.54 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.557 0.178 . . . . 0.0 111.018 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.27 -32.88 57.34 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -170.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.67 -28.59 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -75.03 -38.27 61.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.46 -42.94 98.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.573 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.467 HG13 ' HB2' ' A' ' 54' ' ' ALA . 88.6 t -56.94 -46.25 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.459 175.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.78 -45.1 97.12 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.648 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.504 ' HD2' ' OD2' ' A' ' 28' ' ' ASP . 27.7 mmtp -69.61 -29.84 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.717 -0.284 . . . . 0.0 111.368 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.91 -37.78 86.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.046 0.451 . . . . 0.0 109.962 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.566 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 46.9 mt-30 -76.07 -14.92 60.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.195 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -90.96 -53.42 4.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.625 0.25 . . . . 0.0 110.898 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -73.98 -49.21 25.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 111.051 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.441 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 59.3 m-85 -92.17 -34.52 14.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.012 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.566 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 78.38 39.62 21.89 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.247 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -83.16 173.52 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 111.141 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.87 156.08 40.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.463 173.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.513 ' HZ1' ' CD ' ' A' ' 55' ' ' GLU . 14.9 tmtt? -61.29 -51.83 67.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.744 0.307 . . . . 0.0 110.96 -175.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.77 -32.38 70.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 110.416 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 19.8 ttm180 -60.36 -46.67 89.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.232 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.467 ' HB2' HG13 ' A' ' 40' ' ' VAL . . . -61.79 -39.01 90.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.739 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.513 ' CD ' ' HZ1' ' A' ' 51' ' ' LYS . 46.7 mt-10 -58.56 -46.67 86.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -61.25 -38.54 87.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.265 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 9.7 mm-40 -66.17 -42.05 89.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.698 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 54' ' ' ALA . 68.4 t -65.01 -32.6 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.18 0.514 . . . . 0.0 110.335 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -64.03 -40.71 96.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.273 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.13 -42.68 99.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.303 0.573 . . . . 0.0 110.061 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.534 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 77.9 t80 -63.67 -46.26 86.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.782 178.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.428 ' HA ' HD12 ' A' ' 65' ' ' LEU . 25.6 m -68.42 -29.7 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.589 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.56 -46.51 88.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.947 0.404 . . . . 0.0 111.184 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -87.84 16.06 6.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.699 -175.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 88.1 mt . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.563 172.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' HA ' ' CD1' ' A' ' 13' ' ' LEU . 43.0 mt -91.84 -17.08 7.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 121.378 0.609 . . . . 0.0 110.613 -176.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 35' ' ' HIS . 4.2 ttpm? -67.01 -11.83 58.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.419 0.628 . . . . 0.0 110.087 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.6 177.87 21.44 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.438 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.8 mptp? 60.91 15.86 6.41 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.294 0.547 . . . . 0.0 111.407 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.495 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 33.7 t-105 -54.72 -41.53 70.45 Favored 'General case' 0 C--N 1.333 -0.121 0 O-C-N 123.166 0.291 . . . . 0.0 111.42 -174.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -61.99 -23.84 66.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.832 0.349 . . . . 0.0 111.347 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -92.81 -25.65 18.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.893 0.378 . . . . 0.0 110.637 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.533 ' O ' HG13 ' A' ' 17' ' ' ILE . 87.8 mt -82.34 -38.44 24.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.597 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.41 HG21 ' O ' ' A' ' 10' ' ' TRP . 1.7 t -50.84 -39.21 52.8 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.02 -35.69 91.8 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.038 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 41.8 tttm -89.45 -18.86 25.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.129 0.49 . . . . 0.0 110.382 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 13' ' ' LEU . 83.5 mt -69.48 -43.72 80.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.9 -28.12 68.7 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.944 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 26.3 tt0 -62.59 -48.11 80.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.972 174.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 20' ' ' ARG . 21.6 ttt180 -70.88 -67.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.406 ' CE3' HG21 ' A' ' 17' ' ' ILE . 13.2 m-90 -89.83 99.19 12.24 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.46 -1.45 29.18 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 113.94 -173.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 28.7 t70 -102.67 -11.63 18.27 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.247 -0.561 . . . . 0.0 110.546 179.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.4 mt -83.71 99.06 10.0 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.08 150.84 30.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.198 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.03 -8.94 53.35 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.328 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.93 -35.23 76.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.481 0.658 . . . . 0.0 109.755 172.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.76 -31.99 16.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.224 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.66 10.11 8.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.768 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -63.12 122.59 16.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.495 ' HB1' ' CD1' ' A' ' 10' ' ' TRP . . . -68.06 90.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -172.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.03 -47.47 8.9 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 168.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -137.56 97.94 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.246 -0.888 . . . . 0.0 108.964 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.54 108.75 3.07 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.987 -169.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 1.8 p80 -173.26 163.92 4.65 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.689 0.396 . . . . 0.0 110.125 173.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.31 96.51 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -173.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 37' ' ' GLU . 1.8 mp0 -58.18 -29.96 66.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.816 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.469 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 66.0 t80 -69.78 -37.3 76.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.902 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 42.5 tp -62.89 -43.55 98.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.82 176.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.419 HG21 HG22 ' A' ' 58' ' ' VAL . 57.3 t -56.01 -46.86 80.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.128 176.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.34 -44.64 97.34 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.31 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 69.5 mmtt -67.34 -30.35 70.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.579 0.228 . . . . 0.0 111.498 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 93.5 mt -65.21 -32.84 74.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.959 0.409 . . . . 0.0 110.118 174.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -80.94 -24.68 37.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -80.12 -48.93 12.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.384 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -86.34 -49.02 7.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.767 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 23' ' ' ASP . 40.6 m-85 -87.49 -45.78 10.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.861 0.362 . . . . 0.0 110.738 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.55 38.36 5.89 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.045 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -83.19 163.72 20.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.11 0.481 . . . . 0.0 111.473 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.5 m -69.13 158.15 35.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.887 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -57.68 -54.02 51.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 -174.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.62 -40.05 92.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -177.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -59.63 -48.58 81.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.8 -48.14 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.08 -43.99 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.425 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.492 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 14.6 mm-40 -56.56 -36.81 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.558 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -82.47 -28.75 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.335 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 54' ' ' ALA . 75.9 t -64.13 -47.86 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.84 0.352 . . . . 0.0 110.283 174.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.492 ' HD2' ' OE1' ' A' ' 56' ' ' GLN . 4.4 ptp180 -72.77 -13.44 61.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -82.89 -32.02 27.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.293 0.568 . . . . 0.0 109.763 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.483 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 85.1 t80 -61.98 -41.93 98.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.017 175.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.514 ' HA ' HD12 ' A' ' 65' ' ' LEU . 30.3 m -69.55 -17.45 63.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.566 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.35 -31.43 63.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.597 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 64' ' ' ARG . 16.7 ttm180 -118.47 74.76 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.323 0.582 . . . . 0.0 110.378 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 62' ' ' SER . 54.0 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.908 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 CA--C 1.527 0.059 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mt -88.02 -19.43 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.577 0.703 . . . . 0.0 109.782 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 35' ' ' HIS . 61.7 tttp -67.0 -24.37 66.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.18 174.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.53 143.51 16.33 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.633 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 63.74 26.64 14.52 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 122.558 0.343 . . . . 0.0 111.504 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.486 ' O ' HG23 ' A' ' 14' ' ' THR . 71.4 t-105 -59.93 -30.34 68.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.032 0.444 . . . . 0.0 110.228 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -64.66 -23.28 67.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.615 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -98.8 -45.08 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.331 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 17' ' ' ILE . 74.8 mt -61.65 -25.26 67.27 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.47 -173.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.776 HG22 HE21 ' A' ' 30' ' ' GLN . 3.2 p -51.89 -42.1 62.45 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.129 0.268 . . . . 0.0 111.599 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.5 -42.52 98.92 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.2 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.44 -35.72 75.93 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.718 -0.283 . . . . 0.0 111.003 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.47 HD11 HD23 ' A' ' 39' ' ' LEU . 90.1 mt -65.31 -44.07 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.33 0.586 . . . . 0.0 109.875 176.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 58.0 tttm -61.58 -46.84 88.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.903 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.21 -15.62 59.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.758 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -68.71 -59.43 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.972 0.415 . . . . 0.0 110.596 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.419 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 12.3 m-90 -94.82 -32.65 13.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.735 -176.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.71 -48.44 1.1 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.51 -0.853 . . . . 0.0 114.105 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -83.83 -12.41 55.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 111.387 -174.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 93.7 mt -71.68 129.16 38.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.061 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.6 p -90.14 155.97 18.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.38 -36.62 84.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.062 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.5 -45.68 89.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.653 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -29.54 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.214 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' HB3' HG21 ' A' ' 14' ' ' THR . 85.0 mt -85.95 -46.46 10.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.885 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.776 HE21 HG22 ' A' ' 14' ' ' THR . 19.2 mm-40 -65.58 -10.05 32.0 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -177.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.44 69.44 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.21 -163.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -167.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -78.44 -45.14 22.95 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.419 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.91 -127.15 4.49 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.289 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.695 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 20.4 p80 55.98 157.78 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.812 1.245 . . . . 0.0 113.56 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.73 -41.99 78.46 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -170.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.695 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 32.7 mm-40 -51.01 -37.64 46.35 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -73.7 -31.49 63.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.811 0.338 . . . . 0.0 110.482 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 76.2 mt -60.33 -48.44 81.75 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.87 176.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.5 t -54.19 -37.99 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.499 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.58 -57.41 12.84 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.234 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 10.6 mmpt? -61.47 -36.97 81.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.31 . . . . 0.0 111.601 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 96.2 mt -68.5 -33.76 74.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.107 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 82.6 mt-30 -81.34 -28.31 34.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.297 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -69.35 -59.57 2.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.133 0.492 . . . . 0.0 110.9 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -71.99 -48.8 42.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.299 -173.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -97.24 -70.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 107.48 49.65 0.85 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.956 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.419 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 5.7 m0 -84.31 164.76 18.8 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -59.6 149.29 30.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 173.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -40.46 80.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.641 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.95 -49.43 76.15 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.263 0.554 . . . . 0.0 110.151 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 53' ' ' ARG . 23.4 ttt180 -61.46 -35.94 79.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.943 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.42 -51.7 67.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.613 177.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.51 -42.48 78.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.051 0.453 . . . . 0.0 110.842 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -51.92 -53.88 35.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.099 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -68.48 -27.45 66.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.885 -176.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 54' ' ' ALA . 79.5 t -64.83 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.218 175.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -67.27 -38.08 84.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.31 -23.58 64.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.791 0.329 . . . . 0.0 110.73 178.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -69.02 -37.46 78.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.607 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 p -74.78 -2.69 27.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.765 0.316 . . . . 0.0 111.756 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.05 -50.86 9.14 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 172.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HE ' ' C ' ' A' ' 64' ' ' ARG . 1.2 tpm_? -101.85 69.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.933 0.873 . . . . 0.0 108.986 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--O 1.247 0.946 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.652 178.671 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.48 -22.16 26.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.159 0.504 . . . . 0.0 110.307 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HG2' ' HA ' ' A' ' 35' ' ' HIS . 92.3 mttt -60.21 -33.33 72.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.949 176.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.8 -14.65 10.02 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.641 -175.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -107.84 12.13 27.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 117.093 0.447 . . . . 0.0 111.345 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.649 ' HE1' ' HA ' ' A' ' 30' ' ' GLN . 68.3 t-105 -51.27 -55.1 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.936 0.346 . . . . 0.0 111.936 -176.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.485 ' HA ' HG23 ' A' ' 14' ' ' THR . 52.1 tttp -73.18 -17.26 61.39 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.829 -176.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -78.64 -20.2 50.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.216 0.531 . . . . 0.0 109.955 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.49 ' HB3' HG13 ' A' ' 17' ' ' ILE . 95.9 mt -105.77 7.64 32.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.371 -174.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.485 HG23 ' HA ' ' A' ' 11' ' ' LYS . 3.4 p -58.36 -32.63 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.482 ' O ' ' HG2' ' A' ' 19' ' ' GLU . . . -93.17 -38.27 5.44 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.778 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -63.69 -44.12 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.929 0.491 . . . . 0.0 111.765 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.49 HG13 ' HB3' ' A' ' 13' ' ' LEU . 76.7 mt -62.06 -38.2 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.076 0.465 . . . . 0.0 110.661 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -68.34 -28.98 67.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.57 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 15' ' ' GLY . 32.5 mm-40 -77.18 -33.11 56.5 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.819 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.57 -43.65 89.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.586 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 11.8 m-90 -111.78 -93.53 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.285 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.33 -47.12 0.61 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 119.452 -1.356 . . . . 0.0 114.432 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.63 -22.29 60.97 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 117.276 0.538 . . . . 0.0 110.824 -173.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.449 HD21 ' HG2' ' A' ' 46' ' ' ARG . 89.8 mt -64.3 116.83 6.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.462 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.4 p -82.51 172.66 12.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 111.233 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -71.81 -20.04 61.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.04 -173.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -83.13 -28.78 29.19 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.504 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -76.75 -24.3 52.98 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 174.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' O ' HG21 ' A' ' 14' ' ' THR . 81.9 mt -93.04 20.29 6.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.023 176.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.649 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . 21.2 tp60 -142.52 -179.64 6.42 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.612 ' H ' ' HG3' ' A' ' 30' ' ' GLN . . . 59.09 43.7 17.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.41 0.624 . . . . 0.0 110.074 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.547 ' HB1' ' CE2' ' A' ' 10' ' ' TRP . . . -67.19 143.94 56.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.423 -173.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -79.42 -17.58 54.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 168.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 35' ' ' HIS . . . 93.02 56.28 1.51 Allowed Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.018 -0.992 . . . . 0.0 114.063 169.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.667 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 7.5 p80 174.3 155.51 0.13 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 117.046 0.423 . . . . 0.0 111.23 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.47 71.41 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.667 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 3.2 mp0 -58.36 -25.76 62.38 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.846 0.355 . . . . 0.0 111.166 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -72.57 -33.89 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 109.963 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 31.2 tp -69.43 -40.64 77.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.575 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.446 HG21 HG22 ' A' ' 58' ' ' VAL . 59.0 t -58.98 -46.64 91.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.059 175.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.57 -42.13 97.59 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.025 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 53.6 mmtt -63.91 -31.76 73.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 87.9 mt -68.76 -36.82 78.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.866 0.365 . . . . 0.0 110.492 176.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.435 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 50.9 mt-30 -76.35 -20.4 57.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.013 0.435 . . . . 0.0 110.834 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.37 -51.86 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.023 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HG2' HD21 ' A' ' 24' ' ' LEU . 7.6 tpt180 -77.93 -46.23 21.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 -176.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -94.74 -52.07 4.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.853 0.358 . . . . 0.0 111.014 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 94.55 42.27 3.96 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.907 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -86.99 176.88 7.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.2 m -72.9 156.06 39.25 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 51' ' ' LYS . 34.0 ttmt -59.25 -47.33 85.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.615 0.245 . . . . 0.0 111.213 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 32.8 tt0 -62.34 -43.96 97.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.372 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -56.1 -42.32 76.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.108 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.59 -44.69 81.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.992 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.42 -42.78 88.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.804 0.335 . . . . 0.0 111.133 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 96.0 mt-30 -59.36 -42.86 92.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.978 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -65.3 -38.47 90.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.004 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 HG22 HG21 ' A' ' 40' ' ' VAL . 85.5 t -65.82 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.362 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -63.4 -33.24 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.609 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.53 -55.73 18.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.095 0.474 . . . . 0.0 109.847 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -58.79 -40.8 85.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.503 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.0 p -69.69 -19.36 63.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -74.77 -23.28 58.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.241 0.543 . . . . 0.0 110.06 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 7.8 35.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.004 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.772 -0.633 . . . . 0.0 110.498 -179.497 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.92 -27.96 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.445 0.641 . . . . 0.0 110.029 177.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -56.52 -37.1 69.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.502 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 9' ' ' LYS . . . -113.74 144.41 18.18 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 33.8 mtmm 79.54 15.61 0.92 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.662 0.785 . . . . 0.0 110.215 -175.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.432 ' O ' HG22 ' A' ' 14' ' ' THR . 55.8 t-105 -50.82 -43.27 58.92 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.426 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -20.43 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.242 -176.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.443 ' HA ' ' OE1' ' A' ' 12' ' ' GLN . 9.6 mm-40 -91.34 -30.39 16.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.195 0.522 . . . . 0.0 110.342 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.2 mt -81.52 -9.0 59.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.064 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 10' ' ' TRP . 15.6 p -46.49 -55.17 7.91 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -177.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.12 -31.18 75.83 Favored Glycine 0 CA--C 1.517 0.219 0 C-N-CA 121.113 -0.565 . . . . 0.0 113.139 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -82.93 -38.97 22.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.855 0.36 . . . . 0.0 110.305 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.99 -48.94 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.3 0.572 . . . . 0.0 109.695 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -53.57 -50.08 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.504 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -84.55 -5.85 59.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.373 -168.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 49.6 ttt-85 -74.81 -55.17 6.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.308 0.575 . . . . 0.0 109.674 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.461 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 20.7 m-90 -82.35 -36.13 27.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.0 -31.0 5.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.144 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 46' ' ' ARG . 34.6 t70 -84.63 -34.66 23.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.174 0.487 . . . . 0.0 110.947 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.478 HD23 ' HG3' ' A' ' 46' ' ' ARG . 88.2 mt -57.71 130.06 44.7 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.399 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.3 p -96.77 160.05 14.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -71.38 -10.58 60.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.418 . . . . 0.0 109.891 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.41 -41.08 61.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.318 174.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -66.94 -30.67 70.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.189 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -92.06 7.99 39.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.716 -172.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -125.5 18.78 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.623 0.725 . . . . 0.0 109.349 175.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.45 -60.2 2.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.756 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.78 -157.7 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -167.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.551 ' HB3' ' HD2' ' A' ' 35' ' ' HIS . 15.8 t70 -50.81 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.81 -173.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.28 -23.64 1.72 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.439 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.551 ' HD2' ' HB3' ' A' ' 33' ' ' ASP . 3.6 p80 -50.25 132.23 24.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.8 0.3 . . . . 0.0 110.455 175.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.549 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -52.17 -33.47 40.67 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.611 0.569 . . . . 0.0 112.043 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.511 ' HB3' ' HD1' ' A' ' 35' ' ' HIS . 62.4 tt0 -50.84 -34.54 28.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.547 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -69.63 -42.35 74.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.171 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.709 HD13 HG21 ' A' ' 58' ' ' VAL . 2.4 pp -70.84 -22.12 62.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.443 HG21 HG22 ' A' ' 58' ' ' VAL . 93.8 t -60.61 -46.26 95.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.695 171.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.17 -35.59 92.28 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.738 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 54.6 mmtt -64.32 -35.31 80.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.554 0.216 . . . . 0.0 111.097 176.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 86.8 mt -67.04 -35.45 79.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.956 0.408 . . . . 0.0 110.086 176.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -71.78 -30.96 66.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.288 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.39 -59.21 2.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.055 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG3' HD23 ' A' ' 24' ' ' LEU . 14.1 mmm180 -69.95 -44.72 68.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.637 -174.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -102.07 -61.62 1.36 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.83 0.347 . . . . 0.0 110.824 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.83 51.4 0.9 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.416 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.461 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 14.6 m0 -91.71 169.02 11.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.164 0.507 . . . . 0.0 110.89 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 m -74.62 158.16 34.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.443 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.17 -45.79 90.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.83 -172.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.17 -31.8 73.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.964 0.411 . . . . 0.0 111.437 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -75.12 -44.19 48.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.759 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -60.2 -44.58 95.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.827 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.89 -39.5 92.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.186 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.26 -42.41 98.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.767 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.427 ' HG3' ' CZ3' ' A' ' 49' ' ' TRP . 46.3 mm-40 -60.92 -44.49 97.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.754 177.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.709 HG21 HD13 ' A' ' 39' ' ' LEU . 59.0 t -63.21 -43.95 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.456 177.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -62.08 -42.87 99.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.951 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -59.4 -45.81 90.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.077 0.465 . . . . 0.0 110.303 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.488 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 88.4 t80 -63.71 -49.36 73.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.984 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -67.07 -34.69 78.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.611 -175.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -70.75 -29.53 65.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.079 0.466 . . . . 0.0 110.424 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -93.42 13.08 22.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.499 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 70.7 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.107 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.325 0.583 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.469 ' HA ' HD11 ' A' ' 13' ' ' LEU . 30.7 mt -65.86 -27.88 42.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.42 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HZ1' ' CG ' ' A' ' 33' ' ' ASP . 55.8 tptt -58.59 -36.1 73.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.257 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.87 -52.48 1.39 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.99 -175.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -89.71 29.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.632 0.253 . . . . 0.0 111.62 -174.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -51.48 -45.28 62.75 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.988 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.86 -12.28 61.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -175.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -98.72 -28.63 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.224 0.535 . . . . 0.0 110.151 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.469 HD11 ' HA ' ' A' ' 6' ' ' ILE . 92.5 mt -84.21 0.8 47.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.46 -176.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 p -54.04 -54.42 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.502 . . . . 0.0 110.728 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -72.23 -13.27 76.64 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.706 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -38.38 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.986 0.422 . . . . 0.0 110.193 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.511 HG21 ' CE3' ' A' ' 21' ' ' TRP . 76.1 mt -66.14 -44.99 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.376 0.608 . . . . 0.0 109.703 175.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.19 -33.9 72.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.527 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 20.7 tt0 -67.0 -26.95 67.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.785 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 20' ' ' ARG . 36.9 ttt85 -90.49 -71.3 0.63 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 -178.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.511 ' CE3' HG21 ' A' ' 17' ' ' ILE . 5.3 m-90 -82.89 -47.88 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 110.886 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.2 -39.11 2.87 Favored Glycine 0 C--N 1.314 -0.657 0 C-N-CA 120.923 -0.656 . . . . 0.0 114.366 172.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.68 -28.64 68.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 117.118 0.459 . . . . 0.0 110.686 -176.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.42 126.09 26.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.849 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.6 p -82.35 168.24 17.74 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.334 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.92 -27.91 68.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.206 0.527 . . . . 0.0 109.96 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.79 -31.25 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.992 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -70.81 -34.13 71.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.275 0.56 . . . . 0.0 110.292 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.5 mt -100.33 4.36 43.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.039 -171.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 6.8 tt0 -122.67 19.21 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.226 0.536 . . . . 0.0 110.453 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB2' ' OH ' ' A' ' 38' ' ' TYR . . . -99.83 -83.3 0.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -99.31 -164.86 1.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -170.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.537 ' CG ' ' HZ1' ' A' ' 7' ' ' LYS . 23.3 t70 -70.37 156.09 39.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.632 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.83 24.48 23.88 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.675 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.402 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 3.5 p80 -62.81 149.92 42.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.899 0.349 . . . . 0.0 110.401 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.43 68.35 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -55.97 -28.81 58.72 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.834 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' OH ' ' HB2' ' A' ' 31' ' ' ALA . 53.3 t80 -70.66 -42.03 71.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.896 0.379 . . . . 0.0 110.372 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 7.9 mp -67.11 -46.76 73.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.751 176.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' HA ' ' HB2' ' A' ' 54' ' ' ALA . 77.2 t -53.91 -49.32 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.627 177.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.83 -44.9 97.48 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.807 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.61 ' HG2' ' OE1' ' A' ' 45' ' ' GLU . 17.4 mttm -72.23 -27.45 62.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.918 0.359 . . . . 0.0 111.925 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 92.0 mt -68.91 -31.87 71.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 173.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -77.45 -28.67 52.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.587 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.61 ' OE1' ' HG2' ' A' ' 42' ' ' LYS . 45.9 mt-10 -69.04 -63.21 1.1 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.123 0.487 . . . . 0.0 110.877 175.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -77.46 -46.15 23.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.185 -169.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.438 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 73.3 m-85 -95.95 -38.54 10.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 0.0 111.234 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.24 40.78 8.92 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.834 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -83.05 168.61 16.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 110.637 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.7 m -76.49 153.23 35.7 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 172.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.59 -38.93 89.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.559 0.219 . . . . 0.0 110.784 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.6 -44.59 81.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.187 0.518 . . . . 0.0 110.188 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -70.21 -41.61 73.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.582 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . . . -58.71 -51.62 69.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.349 177.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.67 -46.27 74.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 175.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -61.06 -44.9 96.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -64.96 -42.06 94.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.45 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 54' ' ' ALA . 93.3 t -64.18 -47.78 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.757 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -62.67 -32.69 73.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.464 0.65 . . . . 0.0 110.583 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 34.0 t70 -75.8 -31.58 59.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.789 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -64.32 -44.41 91.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.518 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.503 ' HA ' HD12 ' A' ' 65' ' ' LEU . 5.5 p -67.95 -14.65 63.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.855 0.36 . . . . 0.0 111.198 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' A' ' 60' ' ' ASP . 21.4 t70 -68.18 -30.37 69.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -106.67 20.17 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.351 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 62' ' ' SER . 89.7 mt . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.337 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.7 mt -88.64 -4.35 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.921 -166.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -74.58 -5.51 43.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.738 . . . . 0.0 109.526 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -143.74 169.58 26.01 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.9 mttt 63.33 21.68 12.92 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.552 0.341 . . . . 0.0 111.286 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 32' ' ' ALA . 57.3 t-105 -54.18 -46.8 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.675 -176.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -77.28 -13.01 60.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 0.0 110.783 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -98.62 -12.57 20.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -106.25 7.64 31.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.823 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.466 HG23 ' HB3' ' A' ' 29' ' ' LEU . 17.2 p -56.96 -52.61 64.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.577 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.41 -35.28 91.84 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.468 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -65.26 -42.16 93.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.008 0.433 . . . . 0.0 110.149 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.469 HG23 ' CE3' ' A' ' 21' ' ' TRP . 98.8 mt -70.5 -45.95 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -63.35 -24.17 67.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.64 -37.79 87.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.282 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -84.58 -55.22 4.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.732 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.469 ' CE3' HG23 ' A' ' 17' ' ' ILE . 6.0 m0 -107.64 108.11 19.22 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.659 -175.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.07 -7.75 84.89 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.515 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 2.5 m-20 -83.86 -6.69 59.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.065 0.459 . . . . 0.0 110.634 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.4 mt -93.8 112.92 24.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.57 175.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.1 p -81.16 177.53 8.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.195 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.97 -37.33 76.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.265 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.02 -40.49 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.93 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -60.69 -38.21 84.21 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.818 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HB3' HG23 ' A' ' 14' ' ' THR . 78.7 mt -92.4 -0.0 57.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.346 -176.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -101.32 -44.6 5.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.264 0.554 . . . . 0.0 109.53 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.65 95.5 9.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.269 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.543 ' HB2' ' CE2' ' A' ' 10' ' ' TRP . . . -172.68 144.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.98 174.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.05 -33.06 63.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.128 0.489 . . . . 0.0 109.968 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.8 87.88 1.95 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.688 -0.767 . . . . 0.0 113.195 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.515 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 1.5 p80 -174.0 149.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 171.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.452 ' HB1' HG12 ' A' ' 58' ' ' VAL . . . -53.06 -37.51 61.67 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.822 0.701 . . . . 0.0 112.259 -173.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.515 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 40.9 tt0 -59.05 -34.46 71.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.375 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.459 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 36.0 t80 -75.71 -26.97 58.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 110.213 -176.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.526 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 10.2 mp -68.18 -39.31 82.56 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 174.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.88 -43.74 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.568 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -60.81 -50.47 67.18 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.205 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -61.2 -39.54 90.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.777 0.289 . . . . 0.0 111.713 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 84.5 mt -66.6 -36.14 81.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.917 0.389 . . . . 0.0 110.432 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -46.78 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 176.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 51.7 mm-40 -73.39 -41.26 63.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.878 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -82.57 -60.84 2.06 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 23' ' ' ASP . 35.0 m-85 -75.88 -56.96 4.17 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.059 0.456 . . . . 0.0 111.222 -177.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.1 38.17 3.41 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.441 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 45.1 m0 -84.0 160.39 21.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.694 0.283 . . . . 0.0 110.485 177.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 p -68.45 155.32 40.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.37 -42.17 98.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.517 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.22 -43.77 98.34 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.937 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -64.85 -46.86 80.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.382 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.516 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -55.68 -53.95 50.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.574 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -49.0 -46.9 44.62 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.26 0.553 . . . . 0.0 111.315 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -66.38 -48.59 69.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.178 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 60' ' ' ASP . 21.4 mt-10 -72.43 -23.85 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 54' ' ' ALA . 55.6 t -65.69 -46.25 89.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 0.0 110.211 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -69.81 -37.72 76.36 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.903 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' HB3' ' HA ' ' A' ' 57' ' ' GLU . 19.7 t70 -56.65 -35.79 68.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.504 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -68.03 -43.67 78.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.377 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.406 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 20.0 m -67.52 -28.89 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.208 0.527 . . . . 0.0 110.56 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.14 -30.31 66.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.296 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.18 7.17 36.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.155 -177.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.406 ' HG ' ' HA ' ' A' ' 62' ' ' SER . 86.9 mt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.576 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 121.229 0.537 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.427 HG22 HD22 ' A' ' 13' ' ' LEU . 16.6 mt -85.81 2.7 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.777 -175.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 34' ' ' GLY . 53.7 mttm -77.31 -7.7 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.987 0.422 . . . . 0.0 110.36 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.28 172.37 23.84 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 178.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 mttm 64.2 16.98 10.43 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.699 0.4 . . . . 0.0 110.663 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -56.66 -39.7 74.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.188 -173.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -67.17 -23.75 65.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.799 0.333 . . . . 0.0 111.04 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -91.74 -29.97 16.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.924 0.392 . . . . 0.0 110.482 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.427 HD22 HG22 ' A' ' 6' ' ' ILE . 7.9 mp -72.81 -11.67 60.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.513 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -48.3 -67.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.66 -30.16 75.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.921 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -66.61 -44.53 81.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.987 0.422 . . . . 0.0 110.337 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.19 -38.51 70.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.283 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -55.23 -49.8 71.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.647 175.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -74.18 -18.98 60.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.151 0.5 . . . . 0.0 111.014 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -40.0 60.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.328 -178.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.497 ' HB2' HD13 ' A' ' 24' ' ' LEU . 4.8 m-90 -121.76 5.68 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 -177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.17 -71.67 1.45 Allowed Glycine 0 CA--C 1.519 0.305 0 C-N-CA 121.181 -0.533 . . . . 0.0 114.314 170.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.486 ' OD2' ' HD3' ' A' ' 46' ' ' ARG . 16.8 t70 -70.29 -24.03 62.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -171.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 21' ' ' TRP . 27.9 mt -59.48 105.32 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.73 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.597 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 36.8 m -79.77 149.28 31.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.636 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.78 -39.14 65.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.22 -36.63 84.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.288 -176.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.597 ' OD2' ' HB ' ' A' ' 25' ' ' THR . 14.6 m-20 -69.72 -27.25 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.192 0.52 . . . . 0.0 110.848 -178.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' A' ' 31' ' ' ALA . 81.3 mt -89.65 -48.15 7.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.731 -178.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -71.5 4.25 3.2 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.319 0.58 . . . . 0.0 110.909 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 29' ' ' LEU . . . -65.5 -64.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.21 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . . . -117.32 -96.0 0.47 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -144.72 172.63 12.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 111.998 -170.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 7' ' ' LYS . . . -109.59 129.75 9.6 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.636 -0.711 . . . . 0.0 113.389 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 2.0 p80 178.94 153.33 0.38 Allowed 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 174.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.19 -47.87 12.49 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -58.49 -28.07 65.03 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.544 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 49.8 t80 -74.66 -39.71 61.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.508 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.5 mp -65.08 -48.33 74.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.601 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -52.85 -47.08 52.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.655 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.91 -47.24 91.94 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.623 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 69.3 mmtt -65.65 -32.42 73.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.729 0.265 . . . . 0.0 111.462 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 95.4 mt -66.07 -34.17 77.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 110.247 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.505 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 55.1 mt-30 -83.93 -15.02 49.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.0 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -82.72 -51.31 7.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.94 0.4 . . . . 0.0 110.434 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HD3' ' OD2' ' A' ' 23' ' ' ASP . 4.4 mmp_? -70.84 -58.42 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.596 -177.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -98.12 -45.8 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.004 0.43 . . . . 0.0 111.21 -177.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 86.57 57.27 2.1 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.613 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.487 ' CZ3' ' HG3' ' A' ' 57' ' ' GLU . 25.2 m0 -84.38 174.02 10.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.985 0.421 . . . . 0.0 110.415 176.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 m -70.62 146.26 50.15 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 167.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.61 -35.26 75.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.817 0.341 . . . . 0.0 110.612 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.28 -43.2 99.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 53' ' ' ARG . 21.1 ttp-105 -68.49 -36.26 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.453 178.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.478 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.54 -45.04 94.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.609 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.51 -40.64 83.41 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.153 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -52.03 -56.12 16.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.208 0.528 . . . . 0.0 110.242 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 33.8 mm-40 -61.48 -40.46 94.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.487 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 54' ' ' ALA . 82.4 t -60.86 -46.51 96.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.721 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -66.72 -38.49 86.8 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.171 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.92 -37.88 77.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.163 0.506 . . . . 0.0 110.626 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -76.09 -41.66 49.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.717 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 m -64.0 -35.79 81.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.41 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -74.63 -17.34 60.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.328 0.585 . . . . 0.0 110.361 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -85.27 -19.32 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.634 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.724 -177.939 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 121.035 0.445 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.473 HG21 HD13 ' A' ' 13' ' ' LEU . 51.8 mt -91.88 -27.16 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.264 0.554 . . . . 0.0 109.668 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.757 ' HA ' ' HA3' ' A' ' 34' ' ' GLY . 25.5 ttpp -56.59 -24.28 46.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.099 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.31 0.04 43.8 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.681 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -135.33 19.03 3.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.805 0.336 . . . . 0.0 110.279 -176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.446 ' CE3' ' HA2' ' A' ' 34' ' ' GLY . 57.5 t-105 -49.15 -57.33 6.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.674 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -81.63 -6.4 58.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.204 0.526 . . . . 0.0 110.63 -174.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -98.45 -9.96 24.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.473 HD13 HG21 ' A' ' 6' ' ' ILE . 70.8 mt -109.13 -1.23 18.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.212 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.4 p -52.56 -45.12 66.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.411 -177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.23 -46.25 94.34 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.632 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -67.69 -37.97 83.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.92 0.39 . . . . 0.0 110.565 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 13' ' ' LEU . 79.5 mt -64.76 -44.97 96.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.427 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 86.3 tttt -57.97 -44.35 87.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.957 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -67.64 -28.43 67.72 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -72.37 -53.61 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.553 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -97.84 -17.17 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.042 -174.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.1 -54.03 4.45 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.012 -0.613 . . . . 0.0 114.442 170.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.71 -17.8 59.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.821 0.343 . . . . 0.0 111.532 -173.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.533 HD11 HD23 ' A' ' 29' ' ' LEU . 96.1 mt -69.53 121.21 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.947 177.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -88.11 169.54 11.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 0.0 111.077 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.477 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 6.5 m-20 -67.11 -29.04 68.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.35 -33.57 23.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.888 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.75 -27.84 66.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.449 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.533 HD23 HD11 ' A' ' 24' ' ' LEU . 98.0 mt -92.13 23.4 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.342 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 31.0 mm-40 -111.99 152.29 28.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 176.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 66.91 96.19 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.925 0.766 . . . . 0.0 112.322 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.21 175.07 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.438 ' HB2' ' HD2' ' A' ' 35' ' ' HIS . 2.7 m-20 -73.37 -50.77 20.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 171.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.757 ' HA3' ' HA ' ' A' ' 7' ' ' LYS . . . 121.33 -24.76 7.21 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.673 -177.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.438 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -57.26 140.96 48.34 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.674 0.273 . . . . 0.0 111.588 -177.119 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.04 -38.3 4.79 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -176.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.59 -25.58 64.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.665 0.269 . . . . 0.0 111.276 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -74.59 -34.33 62.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.1 mp -65.78 -38.03 87.92 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.893 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 57.7 t -56.86 -46.52 83.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.097 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.83 -46.32 94.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.01 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -60.3 -43.38 96.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.598 0.237 . . . . 0.0 111.4 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 96.0 mt -64.83 -32.59 74.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.628 0.251 . . . . 0.0 111.188 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.53 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 7.2 mm-40 -73.28 -37.47 66.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.787 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -74.86 -35.19 62.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.591 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -75.82 -55.22 5.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.693 -179.427 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.41 -69.56 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.278 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.67 82.55 1.63 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.997 -175.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -114.22 -177.02 3.03 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -58.4 138.03 56.84 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 167.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 4.5 ttpt -59.43 -40.27 86.23 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.276 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.17 -48.39 81.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.086 0.47 . . . . 0.0 109.911 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -59.25 -42.38 90.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.881 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.93 85.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 26.2 mt-10 -59.08 -49.03 79.43 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.835 177.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 16.5 mm-40 -60.05 -33.91 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.407 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -61.39 -40.52 94.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.656 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.425 HG13 HD21 ' A' ' 39' ' ' LEU . 25.0 t -77.39 -35.42 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.742 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 36.3 mmt180 -61.91 -43.71 98.29 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.485 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.63 -45.76 85.02 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.185 0.517 . . . . 0.0 110.685 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -62.18 -50.51 71.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.705 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m -66.0 -28.13 68.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.226 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.88 -31.92 71.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.23 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 69.3 ttt180 -94.99 22.3 6.72 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.37 0.605 . . . . 0.0 110.591 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.709 -0.662 . . . . 0.0 109.854 176.613 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.222 0.535 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.44 HG21 HD11 ' A' ' 13' ' ' LEU . 31.4 mt -87.73 -20.54 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.826 -176.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -60.91 -21.94 63.85 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.407 -172.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.02 -54.14 1.67 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.895 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 4.1 mptp? -95.65 24.79 5.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -172.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.585 ' CE3' ' HA3' ' A' ' 34' ' ' GLY . 51.4 t-105 -53.21 -41.63 65.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.069 177.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -60.68 -24.57 65.71 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.588 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.844 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -98.58 -25.64 14.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.99 0.424 . . . . 0.0 111.013 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.44 HD11 HG21 ' A' ' 6' ' ' ILE . 91.1 mt -84.99 6.3 25.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.482 -176.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.7 p -56.29 -47.92 77.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.042 0.449 . . . . 0.0 111.123 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.71 -35.27 89.52 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.004 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -64.34 -48.43 75.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.59 0.233 . . . . 0.0 111.058 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.472 HG22 ' CZ3' ' A' ' 21' ' ' TRP . 88.0 mt -60.74 -41.59 88.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -64.64 -41.02 96.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.046 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.54 -24.39 60.12 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.833 0.349 . . . . 0.0 111.379 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.508 ' NH2' ' HA ' ' A' ' 61' ' ' PHE . 11.0 mmt180 -69.46 -63.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.044 0.449 . . . . 0.0 110.783 175.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.472 ' CZ3' HG22 ' A' ' 17' ' ' ILE . 16.4 m-90 -93.13 -66.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.486 -175.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.14 -46.06 1.17 Allowed Glycine 0 C--N 1.313 -0.718 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.909 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.08 -25.76 63.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.88 0.371 . . . . 0.0 111.475 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.21 104.96 9.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.382 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.522 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 70.4 p -72.56 159.66 33.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.941 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.19 -8.92 57.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.942 0.401 . . . . 0.0 110.346 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -80.51 -32.13 37.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.894 171.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.95 -26.59 63.24 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.329 0.585 . . . . 0.0 109.448 172.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 25' ' ' THR . 58.7 mt -95.23 18.49 12.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.723 -176.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -118.51 92.89 3.93 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.07 -151.37 0.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.862 -172.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 -155.63 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.969 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -62.66 121.69 13.99 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 111.09 -175.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.585 ' HA3' ' CE3' ' A' ' 10' ' ' TRP . . . -81.36 67.96 3.54 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.968 -178.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.619 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 5.9 p80 -92.0 166.57 12.62 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.68 79.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -172.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.619 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 74.4 mm-40 -60.25 -25.35 65.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.645 0.259 . . . . 0.0 111.435 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -76.16 -38.61 56.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.1 -42.51 99.29 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.363 175.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.01 -39.74 50.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.282 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.81 -49.86 65.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.435 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -66.92 -34.78 78.52 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.724 -0.28 . . . . 0.0 111.61 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 47' ' ' TYR . 84.8 mt -71.83 -30.19 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.906 0.384 . . . . 0.0 110.462 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -75.3 -29.79 60.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.35 0.595 . . . . 0.0 110.121 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -78.0 -54.32 6.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.501 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -81.8 -30.48 32.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.748 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 80.8 m-85 -111.41 -54.85 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 111.467 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.55 37.85 4.13 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.897 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -82.87 163.53 21.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.814 0.34 . . . . 0.0 111.253 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.7 m -65.87 156.82 32.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.606 173.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -60.7 -46.12 91.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.879 0.371 . . . . 0.0 110.051 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -65.45 -39.02 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.931 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -57.31 -49.73 75.17 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.529 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.48 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.33 -40.94 98.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.779 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.88 -46.53 71.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.514 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.75 -30.78 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.437 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -71.91 -41.41 67.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.865 0.364 . . . . 0.0 110.315 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 54' ' ' ALA . 91.2 t -63.93 -39.04 84.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.026 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -61.9 -51.14 69.37 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.328 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.87 -37.07 75.69 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.031 0.443 . . . . 0.0 110.815 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.508 ' HA ' ' NH2' ' A' ' 20' ' ' ARG . 46.5 t80 -63.11 -48.62 77.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.413 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 p -87.1 -17.05 33.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.825 0.345 . . . . 0.0 111.833 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.01 -40.16 28.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.078 0.466 . . . . 0.0 109.898 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HB3' HH22 ' A' ' 20' ' ' ARG . 33.1 ttt180 -96.74 67.1 2.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.916 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.44 -0.79 . . . . 0.0 109.477 174.196 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 121.385 0.612 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -92.02 3.6 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.634 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 34' ' ' GLY . 82.7 tttt -72.03 -26.73 62.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.758 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.99 157.84 15.11 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp 65.34 28.09 11.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.697 0.284 . . . . 0.0 110.745 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.536 ' O ' HG23 ' A' ' 14' ' ' THR . 50.4 t-105 -50.42 -41.52 52.54 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.758 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -71.11 -29.88 65.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.523 0.202 . . . . 0.0 111.365 -176.566 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -80.74 -39.33 27.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.01 0.434 . . . . 0.0 110.85 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 17' ' ' ILE . 98.9 mt -71.61 -15.06 62.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.606 -175.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 10' ' ' TRP . 44.2 p -49.2 -49.63 41.87 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 123.452 0.47 . . . . 0.0 111.341 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.585 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -55.74 -43.97 86.71 Favored Glycine 0 C--O 1.226 -0.39 0 CA-C-N 115.819 -0.628 . . . . 0.0 113.029 -178.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.68 -31.65 59.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.572 0.225 . . . . 0.0 111.439 -175.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 13' ' ' LEU . 62.1 mt -66.33 -41.85 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 173.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -65.54 -32.3 73.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.475 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 44.0 mt-10 -70.37 -43.11 70.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.711 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.679 ' NH1' ' HA ' ' A' ' 61' ' ' PHE . 12.3 ttm180 -71.15 -57.77 4.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.042 -171.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -87.79 -44.68 10.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 111.248 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.29 -37.9 3.28 Favored Glycine 0 C--N 1.317 -0.527 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.721 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.79 -38.38 79.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.283 0.541 . . . . 0.0 111.19 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.482 HD23 ' HG3' ' A' ' 46' ' ' ARG . 90.1 mt -57.97 119.05 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.5 p -87.84 -178.23 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.29 -30.57 71.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.998 0.427 . . . . 0.0 110.072 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.74 -36.27 83.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.1 178.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.524 ' HA ' ' HE2' ' A' ' 42' ' ' LYS . 17.5 m-20 -77.31 -27.28 52.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 -177.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.8 mt -96.71 16.13 19.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.098 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -128.69 163.32 25.37 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.89 67.68 0.6 Allowed 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.626 0.579 . . . . 0.0 111.446 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.27 160.14 42.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.544 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -27.46 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.214 175.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.634 ' O ' ' HA ' ' A' ' 7' ' ' LYS . . . 85.97 92.14 0.87 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.09 -173.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.32 156.78 0.77 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.27 76.77 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.499 0.499 . . . . 0.0 111.378 -173.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -56.06 -32.91 64.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.281 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -71.35 -40.36 70.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.374 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.555 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.0 mp -63.87 -39.51 94.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.89 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.479 HG11 ' HB1' ' A' ' 54' ' ' ALA . 85.9 t -54.96 -49.86 67.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.384 176.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.76 -44.2 98.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.307 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 26.6 mmtm -66.58 -34.37 77.74 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 122.798 -0.236 . . . . 0.0 111.588 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 85.5 mt -70.33 -37.03 74.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.618 0.247 . . . . 0.0 110.854 178.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 23.1 mt-30 -72.15 -30.5 65.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -73.63 -54.77 7.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HG3' HD23 ' A' ' 24' ' ' LEU . 24.1 mmt180 -71.39 -59.91 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.905 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -81.86 -52.69 6.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.02 0.438 . . . . 0.0 111.165 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.33 46.59 2.34 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.479 -175.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -89.56 177.63 6.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.93 0.395 . . . . 0.0 110.377 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.2 t -90.51 156.84 17.89 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -57.41 -48.15 79.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -171.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -25.17 54.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.87 -172.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -67.6 -47.77 68.75 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 173.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.479 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -59.64 -44.93 93.34 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.267 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.15 -43.47 78.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -61.48 -44.83 96.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.63 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.17 -34.66 71.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.545 0.212 . . . . 0.0 111.27 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 54' ' ' ALA . 98.9 t -69.97 -37.07 71.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.234 0.54 . . . . 0.0 110.026 175.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -63.09 -39.84 95.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.762 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.49 -39.47 93.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.391 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.679 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 93.2 t80 -59.2 -39.73 83.54 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.943 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -69.16 -35.14 76.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.971 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -64.52 -52.1 59.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 110.248 176.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.579 ' HB2' HH12 ' A' ' 20' ' ' ARG . 50.9 mtt180 -85.29 61.47 6.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.001 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 32.1 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.655 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.704 0.288 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.1 mt -75.53 -36.38 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.343 0.592 . . . . 0.0 110.069 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.694 ' HA ' ' HA3' ' A' ' 34' ' ' GLY . 85.4 tttt -61.58 -28.19 69.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.838 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.84 -39.77 5.43 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.835 -178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -105.27 28.32 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.806 0.303 . . . . 0.0 111.264 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -51.64 -50.25 60.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -175.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 36.9 ttmt -76.46 -12.56 60.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.102 0.477 . . . . 0.0 110.973 -175.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -92.6 -39.26 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.213 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.5 ' O ' HG13 ' A' ' 17' ' ' ILE . 94.7 mt -77.9 -2.76 38.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.086 -174.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -51.44 -42.21 61.37 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.39 -44.01 85.82 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.251 -0.5 . . . . 0.0 112.911 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -68.56 -34.81 76.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.822 -0.222 . . . . 0.0 111.443 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 13' ' ' LEU . 72.1 mt -64.31 -43.99 97.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.216 0.532 . . . . 0.0 109.9 176.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.487 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 52.8 tptt -59.87 -30.39 68.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.006 175.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -79.01 -49.37 12.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.268 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.642 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.4 mmp_? -61.59 -58.81 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -175.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.483 ' CE3' HG21 ' A' ' 17' ' ' ILE . 6.9 m0 -100.54 -23.94 14.58 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.942 -173.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 18' ' ' LYS . . . 83.45 -67.35 3.75 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.812 -0.708 . . . . 0.0 114.795 167.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' HB3' ' HH ' ' A' ' 47' ' ' TYR . 27.4 t70 -68.57 -20.67 64.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -169.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -58.96 129.1 40.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.933 0.397 . . . . 0.0 110.826 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.479 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 11.2 t -94.98 174.95 6.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.681 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -70.75 -14.16 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.756 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -71.39 -45.45 62.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.477 ' OD2' HG23 ' A' ' 25' ' ' THR . 34.5 m-20 -65.8 -34.25 77.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.696 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 25' ' ' THR . 41.3 mt -91.43 7.73 39.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.943 -174.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -152.15 72.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.977 0.418 . . . . 0.0 110.116 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 177.27 47.53 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.683 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . . . -150.25 168.37 24.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -171.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.575 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -104.38 17.53 23.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.988 172.516 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.694 ' HA3' ' HA ' ' A' ' 7' ' ' LYS . . . 75.0 -144.67 32.56 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.483 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.685 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 19.8 p80 53.45 156.05 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.37 1.468 . . . . 0.0 113.897 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.479 ' O ' HG21 ' A' ' 40' ' ' VAL . . . -58.67 -41.07 85.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.374 -172.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.685 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 10.7 mp0 -52.4 -36.45 54.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.656 -176.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.448 ' CE1' ' HB3' ' A' ' 32' ' ' ALA . 49.8 t80 -73.68 -42.82 60.79 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.241 -178.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 60.6 mt -60.03 -43.92 94.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.623 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 36' ' ' ALA . 67.2 t -51.65 -47.23 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.453 0.471 . . . . 0.0 110.376 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.21 -47.59 90.22 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.271 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 57.8 mmtt -64.83 -37.29 87.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 59.3 mt -70.27 -28.08 64.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 14.4 mm100 -83.09 -36.57 24.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.111 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.31 -53.87 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.861 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -78.68 -52.04 8.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.372 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.452 ' HH ' ' HB3' ' A' ' 23' ' ' ASP . 59.2 m-85 -98.21 -69.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.974 0.416 . . . . 0.0 111.284 -173.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.6 64.5 0.7 Allowed Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.953 -176.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.508 ' HB3' ' HD2' ' A' ' 53' ' ' ARG . 12.6 m0 -95.5 -168.61 1.81 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.5 t -73.33 144.2 46.62 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 165.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -58.88 -36.99 75.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.88 0.371 . . . . 0.0 110.235 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.35 -40.78 97.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.115 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.508 ' HD2' ' HB3' ' A' ' 49' ' ' TRP . 27.9 ttm180 -65.58 -43.57 89.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.427 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.84 -48.32 82.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.48 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.9 -45.14 95.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.984 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 13.3 mm-40 -61.84 -33.41 74.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.606 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 33.0 mm-40 -65.59 -40.31 92.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.881 0.372 . . . . 0.0 110.374 175.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.479 HG13 ' HA ' ' A' ' 36' ' ' ALA . 48.2 t -65.08 -42.2 93.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.237 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -65.1 -41.3 95.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.734 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.97 -45.43 92.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.345 175.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.582 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 51.8 t80 -62.34 -49.66 74.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.809 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 m -62.87 -40.13 96.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.62 -178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.49 -27.64 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.506 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -88.37 10.85 18.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.11 0.481 . . . . 0.0 110.58 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 98.7 mt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.436 -0.793 . . . . 0.0 109.84 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.004 0.431 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.1 mm -75.75 -45.5 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.407 -175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.93 -24.99 67.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.965 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.74 -40.63 95.19 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.784 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -131.46 35.75 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.807 -0.231 . . . . 0.0 110.451 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.669 ' CZ2' ' HB1' ' A' ' 32' ' ' ALA . 68.1 t-105 -48.9 -42.37 36.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -175.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -70.98 -29.27 65.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.869 0.366 . . . . 0.0 110.705 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -90.65 -37.12 13.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.151 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.48 -8.44 26.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.443 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.51 HG22 ' HB3' ' A' ' 29' ' ' LEU . 27.5 p -48.2 -45.35 33.8 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.433 0.458 . . . . 0.0 111.407 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -70.5 -30.66 68.71 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.974 -178.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -81.79 -39.41 24.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.155 0.478 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.402 HG21 ' CZ3' ' A' ' 21' ' ' TRP . 80.8 mt -65.72 -44.14 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.093 0.473 . . . . 0.0 110.311 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -69.05 -28.41 66.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.545 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 3.8 tp10 -72.21 -36.63 69.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.111 0.481 . . . . 0.0 110.111 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -62.31 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.601 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.402 ' CZ3' HG21 ' A' ' 17' ' ' ILE . 24.1 m-90 -88.95 -52.11 5.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.963 0.411 . . . . 0.0 111.996 -174.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.86 -47.42 1.07 Allowed Glycine 0 C--N 1.313 -0.721 0 C-N-CA 120.875 -0.679 . . . . 0.0 113.165 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.44 -11.51 60.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 111.641 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.3 mt -83.61 98.08 9.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 174.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 t -76.9 160.35 29.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.666 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -60.91 -26.59 67.57 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.702 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.02 -48.09 82.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.023 0.44 . . . . 0.0 110.763 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.26 -41.42 81.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.799 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.51 ' HB3' HG22 ' A' ' 14' ' ' THR . 63.8 mt -77.76 -16.61 58.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.813 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.95 -22.49 20.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.054 0.454 . . . . 0.0 110.578 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.32 -38.93 11.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -173.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.669 ' HB1' ' CZ2' ' A' ' 10' ' ' TRP . . . -68.4 170.9 8.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -170.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.88 -69.12 0.31 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.977 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.618 ' HA2' ' CD2' ' A' ' 10' ' ' TRP . . . 146.09 -38.52 1.18 Allowed Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.248 -0.977 . . . . 0.0 113.446 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 4.6 p80 -57.93 142.69 45.43 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 117.176 0.488 . . . . 0.0 111.105 -175.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' O ' HG21 ' A' ' 40' ' ' VAL . . . -48.75 -42.18 34.55 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 3.5 mp0 -56.7 -29.83 62.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.627 0.251 . . . . 0.0 111.616 -176.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -82.43 -32.52 28.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.022 0.439 . . . . 0.0 109.845 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.8 tp -66.96 -37.43 84.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.711 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.437 HG13 ' HB2' ' A' ' 54' ' ' ALA . 79.5 t -55.72 -44.78 78.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.241 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.516 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -62.35 -36.93 93.78 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.326 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -64.26 -41.73 96.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.639 0.257 . . . . 0.0 110.977 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.38 -39.9 95.78 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.911 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.27 -29.01 68.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.968 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 13.0 mm-40 -78.85 -35.57 43.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.679 0.276 . . . . 0.0 111.033 177.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.3 mmp_? -72.84 -57.76 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.398 . . . . 0.0 111.716 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -104.1 -18.7 14.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.06 -171.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.76 40.07 23.02 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.056 -1.068 . . . . 0.0 111.768 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.515 ' CZ3' ' HG2' ' A' ' 57' ' ' GLU . 50.9 m0 -83.01 158.74 22.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.853 0.358 . . . . 0.0 110.424 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.1 t -73.16 156.11 38.95 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -63.11 -39.48 94.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.492 0.187 . . . . 0.0 111.236 -175.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.73 -42.09 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.956 0.408 . . . . 0.0 110.725 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -67.41 -45.39 76.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.409 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.92 -37.86 88.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -58.52 -58.15 9.83 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.694 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.68 -31.7 71.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.617 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.515 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 3.8 tp10 -68.39 -41.04 81.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.781 0.324 . . . . 0.0 110.566 -178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 54' ' ' ALA . 93.9 t -64.3 -38.84 83.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.158 175.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.608 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 17.9 mtp180 -65.98 -40.07 90.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.688 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.7 t70 -54.22 -42.07 69.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 110.232 176.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -69.21 -46.29 67.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.283 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.8 m -70.3 -27.7 64.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.047 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.45 1.02 50.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 111.01 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 50.7 mtt-85 -110.95 11.34 22.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.298 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.346 179.466 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 CA--C 1.531 0.213 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -69.62 -27.11 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.743 -175.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -58.78 -46.54 87.28 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.46 7.5 63.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.159 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.537 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 89.7 mttt -130.17 16.24 5.61 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.64 -0.329 . . . . 0.0 110.999 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.452 ' HE1' ' HA ' ' A' ' 31' ' ' ALA . 61.0 t-105 -44.38 -61.1 1.64 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -173.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.701 ' HD2' ' HG2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -73.69 -4.35 33.86 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -173.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.794 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -98.4 -13.16 20.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.975 0.417 . . . . 0.0 109.886 176.464 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 87.7 mt -106.2 -17.13 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.997 -173.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.1 p -49.63 -39.76 36.95 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.12 -41.41 98.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.849 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -84.77 -27.41 26.9 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 13' ' ' LEU . 63.4 mt -60.45 -46.84 94.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.765 174.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HB2' HD11 ' A' ' 29' ' ' LEU . 84.2 tttt -66.31 -31.28 71.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -80.4 -24.37 39.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.855 0.36 . . . . 0.0 110.532 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -69.41 -57.71 4.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.062 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -95.9 -18.07 20.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.755 -175.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.4 -70.45 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.408 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 33.2 t70 -85.23 64.98 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.743 0.782 . . . . 0.0 110.577 -173.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.3 mt -121.72 118.37 28.93 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.364 174.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.0 m -74.69 153.78 38.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.469 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -58.41 -30.08 66.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.705 0.288 . . . . 0.0 110.697 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.97 -41.45 82.96 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.099 0.476 . . . . 0.0 110.997 172.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.719 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 65.6 m-20 -73.72 -19.46 60.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.901 -178.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' A' ' 18' ' ' LYS . 43.2 mt -102.77 2.68 35.94 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.478 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -62.9 112.13 2.44 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.157 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . . . -72.46 99.66 2.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.408 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.64 -77.7 0.59 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.179 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.44 111.68 24.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.362 0.601 . . . . 0.0 109.573 172.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.16 107.57 3.09 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.791 -0.64 . . . . 0.0 113.611 -172.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -166.64 159.54 14.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.39 73.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 0.0 111.761 -173.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 37' ' ' GLU . 1.9 mp0 -60.72 -30.61 70.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.674 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -68.0 -39.43 83.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 49.8 tp -61.28 -52.12 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.032 174.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.04 -48.52 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.974 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.11 -38.05 92.52 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.933 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 15.4 mttm -85.06 -18.47 34.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.459 -0.436 . . . . 0.0 111.809 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 83.9 mt -67.32 -30.51 70.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 170.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.47 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 22.5 mt-30 -81.88 -25.72 34.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.872 174.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.24 -58.89 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.492 176.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 24.4 tpt180 -75.16 -53.6 8.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.422 -175.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -91.75 -65.39 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.038 0.447 . . . . 0.0 110.92 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 105.72 47.65 1.09 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.549 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -83.13 170.41 14.8 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 152.28 41.98 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 62.8 tttm -52.1 -48.65 64.64 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.196 0.31 . . . . 0.0 111.614 -175.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 1.4 pm0 -69.47 -28.06 65.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.298 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -77.09 -35.91 56.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.474 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -66.35 -42.81 87.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.854 175.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.409 ' OE2' ' HG2' ' A' ' 51' ' ' LYS . 48.1 mt-10 -57.39 -41.47 80.33 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.621 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.68 -49.05 79.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.342 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -58.54 -45.09 89.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.295 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 54' ' ' ALA . 83.0 t -58.13 -46.86 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.092 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -67.12 -39.5 86.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.845 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -64.77 -45.56 85.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.741 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -65.16 -39.27 92.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.455 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.5 t -63.13 -20.17 65.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -83.29 -40.45 19.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.052 0.454 . . . . 0.0 110.161 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -74.7 -9.6 58.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.699 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--O 1.245 0.852 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.962 176.205 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mm -57.29 -45.68 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.688 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -71.32 -28.32 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.341 -174.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.51 46.22 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.365 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.485 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . 60.5 mmtt -101.87 16.61 25.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.49 ' CZ2' ' HB2' ' A' ' 32' ' ' ALA . 75.8 t-105 -48.85 -50.39 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -170.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.02 -17.78 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.956 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -98.54 -31.01 12.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.033 0.444 . . . . 0.0 110.26 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.485 ' HG ' ' HB2' ' A' ' 9' ' ' LYS . 64.9 mt -77.28 -16.33 59.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.735 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 29' ' ' LEU . 3.9 p -55.75 -36.63 67.51 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.14 -27.35 68.55 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.568 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -86.26 -30.09 22.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 13' ' ' LEU . 85.3 mt -64.69 -42.56 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 173.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 57.6 tttm -70.1 -19.97 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.236 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -75.86 -42.86 48.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.833 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -45.28 52.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.854 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.949 ' HB3' ' HH ' ' A' ' 47' ' ' TYR . 5.1 m-90 -120.14 102.71 8.7 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.16 -5.24 89.75 Favored Glycine 0 N--CA 1.452 -0.246 0 N-CA-C 114.811 0.684 . . . . 0.0 114.811 -168.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -92.88 -11.08 34.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.894 0.847 . . . . 0.0 110.717 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 81.3 mt -82.04 117.65 22.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.968 176.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.0 p -84.03 166.38 17.79 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.208 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 p30 -67.19 -24.89 65.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.205 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.3 -33.89 70.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.665 0.269 . . . . 0.0 110.907 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -70.39 -30.34 67.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.109 0.48 . . . . 0.0 110.335 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.521 ' HB3' HG22 ' A' ' 14' ' ' THR . 66.0 mt -95.75 -48.7 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.608 -175.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' HG2' HG23 ' A' ' 14' ' ' THR . 93.7 mt-30 -78.84 59.64 2.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.05 0.452 . . . . 0.0 110.181 -177.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.72 22.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.606 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.49 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . . . -132.37 171.85 13.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -168.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.29 -56.04 17.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.495 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.27 -27.64 6.03 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.192 -1.004 . . . . 0.0 114.019 174.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 19.3 p-80 -68.19 158.65 32.77 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 117.868 0.834 . . . . 0.0 111.325 -174.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.56 -44.29 56.61 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -166.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.433 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 34.0 mm-40 -60.06 -26.89 66.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -74.42 -31.87 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.589 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.5 mp -62.12 -44.67 96.13 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 174.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 46.5 t -56.09 -44.25 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.275 177.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.84 -47.98 88.54 Favored Glycine 0 C--O 1.227 -0.333 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.053 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -60.64 -35.77 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 95.5 mt -68.84 -28.71 66.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.874 0.369 . . . . 0.0 110.646 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 8.1 mm-40 -79.6 -46.23 17.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.137 0.494 . . . . 0.0 110.044 175.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.29 -48.33 82.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.44 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -81.32 -46.36 14.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.238 -174.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.949 ' HH ' ' HB3' ' A' ' 21' ' ' TRP . 89.1 m-85 -102.88 -76.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.867 0.365 . . . . 0.0 110.998 -176.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.8 73.45 0.53 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.724 -175.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -114.91 -168.69 1.42 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -87.67 155.15 20.07 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 169.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HG3' HG11 ' A' ' 40' ' ' VAL . 55.9 tttm -67.02 -31.8 72.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -55.02 -53.94 49.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.0 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 53' ' ' ARG . 15.5 ttm-85 -67.25 -45.5 76.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.495 -177.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.25 -46.18 83.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.216 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 38.0 mt-10 -67.46 -37.73 83.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.618 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.743 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.3 -43.48 88.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.686 0.279 . . . . 0.0 110.527 174.663 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.69 84.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.754 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 54' ' ' ALA . 99.1 t -66.05 -41.11 89.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.443 175.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 31.9 mmt180 -58.37 -44.04 88.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.822 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.77 -42.24 88.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.224 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.533 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 52.6 t80 -64.62 -50.99 64.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.88 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.2 m -62.54 -31.27 72.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.959 0.409 . . . . 0.0 110.802 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.75 -43.43 93.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.005 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.51 17.72 3.09 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 76.3 mt . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.328 -0.844 . . . . 0.0 109.847 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.876 0.37 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.5 mt -90.36 -26.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.973 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -55.15 -31.57 61.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.356 174.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.55 138.75 14.58 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.406 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.614 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 98.5 mttt 65.09 20.63 12.08 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 122.788 0.435 . . . . 0.0 110.692 -175.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.48 ' CD2' ' HA3' ' A' ' 34' ' ' GLY . 67.4 t-105 -56.76 -41.65 77.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.656 -177.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -8.24 55.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 111.476 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -98.82 -35.88 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.109 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 79.9 mt -76.31 -9.12 58.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.654 -175.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.0 p -53.23 -38.35 62.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.468 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.17 -42.67 99.73 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.137 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -64.15 -42.92 96.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 0.0 110.626 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 13' ' ' LEU . 63.9 mt -65.52 -50.61 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.212 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -64.34 -24.91 67.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.023 0.44 . . . . 0.0 110.507 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.42 -36.62 71.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -82.74 -57.42 3.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.95 0.405 . . . . 0.0 110.465 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -107.46 99.34 8.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.16 -177.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.02 -14.65 71.07 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.416 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 27.2 t70 -83.27 -22.4 33.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.288 0.544 . . . . 0.0 110.387 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.437 HD21 ' HG2' ' A' ' 46' ' ' ARG . 43.5 mt -76.42 107.76 8.91 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.147 0.499 . . . . 0.0 109.782 175.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.4 p -78.78 158.47 28.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.849 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -73.28 -12.64 60.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.88 -42.51 81.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.847 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -65.15 -39.76 93.45 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.004 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.1 mt -74.87 -43.05 56.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.047 -176.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -77.55 -4.78 47.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.24 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.58 -62.89 1.27 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -175.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.28 -84.32 0.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -135.17 148.35 49.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.051 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.48 ' HA3' ' CD2' ' A' ' 10' ' ' TRP . . . -120.18 145.01 17.54 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.684 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 8.0 p80 -175.32 166.84 3.38 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.21 -55.8 2.56 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.791 0.682 . . . . 0.0 112.8 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.546 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 20.4 mp0 -60.5 -31.32 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.779 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -75.42 -37.49 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.605 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 8.7 mp -59.26 -51.13 71.28 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.5 t -53.65 -45.64 60.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.675 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.16 -52.72 50.8 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.596 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -67.44 -30.08 69.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 74.1 mt -66.43 -37.17 84.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.56 0.219 . . . . 0.0 110.48 176.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -76.69 -29.96 56.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.69 -56.47 5.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.269 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' HG2' HD21 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -71.4 -57.43 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.343 -176.595 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 68.2 m-85 -90.24 -60.18 2.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.975 0.417 . . . . 0.0 111.043 -177.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.22 49.8 1.67 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.894 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.475 ' HB3' ' HD2' ' A' ' 53' ' ' ARG . 8.8 m0 -86.52 177.43 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -71.73 149.77 45.1 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 88.0 tttt -56.86 -43.7 81.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.557 0.218 . . . . 0.0 110.903 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.82 -47.27 83.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.53 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HD2' ' HB3' ' A' ' 49' ' ' TRP . 18.0 ttm180 -61.25 -41.48 96.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.185 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.523 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -61.13 -47.33 86.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.768 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 44.5 mt-10 -55.73 -45.44 77.97 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.799 177.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.585 HE21 ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.94 -46.42 88.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.619 178.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.8 -38.51 91.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.375 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 54' ' ' ALA . 75.0 t -62.29 -48.02 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 0.0 110.802 177.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -65.85 -40.08 91.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.522 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.65 -35.07 75.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.498 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CE2' HD23 ' A' ' 65' ' ' LEU . 87.1 t80 -75.77 -43.21 47.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.755 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.522 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 23.2 t -60.0 -30.5 69.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.032 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -61.86 -31.66 71.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.079 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.1 mpt_? -99.45 18.28 18.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -176.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.522 ' HG ' ' HA ' ' A' ' 62' ' ' SER . 82.1 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.438 -0.792 . . . . 0.0 109.439 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.644 HG22 HG13 ' A' ' 6' ' ' ILE . 15.5 m . . . . . 0 C--O 1.232 0.149 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.644 HG13 HG22 ' A' ' 5' ' ' VAL . 14.6 mt -89.85 -33.47 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.978 0.418 . . . . 0.0 110.86 -175.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -79.54 -41.59 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.287 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.29 -29.03 60.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.223 -175.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -120.47 31.93 6.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.318 0.58 . . . . 0.0 110.561 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -50.78 -48.53 59.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.03 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -68.3 -25.54 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.917 0.389 . . . . 0.0 111.068 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -83.16 -29.13 28.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.047 0.451 . . . . 0.0 110.532 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 17' ' ' ILE . 87.8 mt -84.42 -5.95 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.798 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 29' ' ' LEU . 18.0 p -47.02 -54.85 9.3 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -176.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.43 -42.8 99.85 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.252 -0.499 . . . . 0.0 112.92 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -66.7 -39.42 88.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.784 0.326 . . . . 0.0 111.224 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.472 HG22 ' CE3' ' A' ' 21' ' ' TRP . 84.9 mt -65.58 -46.58 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.813 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 48.0 tttm -69.78 -19.55 63.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.079 0.466 . . . . 0.0 110.606 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -78.07 -25.93 47.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.271 0.558 . . . . 0.0 109.979 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -85.2 -52.51 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.472 ' CE3' HG22 ' A' ' 17' ' ' ILE . 3.1 m-90 -112.24 94.53 4.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.363 178.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.05 -24.65 75.81 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.555 -0.748 . . . . 0.0 113.773 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.494 ' OD2' ' HG3' ' A' ' 46' ' ' ARG . 38.3 t70 -72.43 -27.67 62.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.972 0.386 . . . . 0.0 111.182 -175.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.663 HD11 HD22 ' A' ' 29' ' ' LEU . 95.3 mt -64.54 120.2 11.9 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 175.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 p -79.41 169.0 18.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.168 0.509 . . . . 0.0 111.726 -174.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -69.41 -11.52 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.043 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -85.85 -50.23 7.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.926 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -57.42 -42.71 82.88 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.667 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.663 HD22 HD11 ' A' ' 24' ' ' LEU . 86.8 mt -85.67 14.05 6.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.756 -175.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -141.23 18.03 2.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.242 0.544 . . . . 0.0 110.279 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.9 -85.51 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.777 -176.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.14 -95.96 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -145.19 -171.55 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.79 37.06 2.69 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.271 -0.966 . . . . 0.0 114.096 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.56 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 19.7 p-80 -77.54 147.15 35.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -40.64 26.33 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -168.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.56 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 57.9 mm-40 -57.78 -34.27 69.41 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -71.76 -41.74 68.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.413 -177.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 44.2 mt -59.16 -53.35 59.3 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.265 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.445 HG11 ' HB2' ' A' ' 54' ' ' ALA . 90.3 t -52.81 -45.85 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.572 0.545 . . . . 0.0 110.828 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.45 -48.74 83.25 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.414 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -67.53 -30.87 70.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.576 0.226 . . . . 0.0 111.594 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 77.9 mt -70.86 -39.33 72.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.695 0.283 . . . . 0.0 110.734 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.47 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 24.7 mt-30 -72.76 -26.37 61.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.02 0.438 . . . . 0.0 110.193 175.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.98 -55.91 4.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.981 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.502 ' HG2' HD22 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -72.32 -57.45 4.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.204 -174.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -84.22 -52.03 6.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.916 0.389 . . . . 0.0 110.951 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 103.07 38.7 2.82 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.887 -178.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 53' ' ' ARG . 46.1 m0 -83.3 169.85 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.728 0.299 . . . . 0.0 110.316 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.8 p -81.75 165.59 20.8 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -59.99 -43.31 95.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.261 -176.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 1.3 mp0 -64.6 -42.52 95.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.601 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HD2' ' CG ' ' A' ' 49' ' ' TRP . 56.7 ttm-85 -65.2 -39.66 93.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.41 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' HB2' HG11 ' A' ' 40' ' ' VAL . . . -64.48 -44.62 90.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.189 177.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -54.84 -45.04 74.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.014 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -58.97 -51.55 69.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.783 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -62.17 -47.63 83.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.26 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.49 -44.34 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.144 0.497 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttm105 -68.82 -39.62 79.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.189 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 34.2 t70 -70.67 -28.49 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.804 178.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -73.03 -43.77 61.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.361 . . . . 0.0 110.065 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 t -64.65 -20.89 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.532 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 60' ' ' ASP . 11.6 t70 -64.24 -28.7 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.466 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -102.38 9.32 39.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.118 0.485 . . . . 0.0 111.134 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.166 -178.12 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.873 0.368 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -113.75 108.01 16.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -151.3 126.97 10.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.923 ' HB3' ' HE3' ' A' ' 7' ' ' LYS . 17.2 t0 -83.52 90.4 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.4 m -85.51 -5.34 9.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.392 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -74.22 -43.5 50.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.187 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.923 ' HE3' ' HB3' ' A' ' 4' ' ' ASP . 21.5 pttp -63.88 -26.56 68.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.59 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.3 -51.76 9.54 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.363 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 73.5 mmtt -100.52 29.19 4.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.527 0.203 . . . . 0.0 110.621 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.613 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 62.3 t-105 -55.59 -56.31 21.84 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -170.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -70.51 -6.93 39.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.198 0.523 . . . . 0.0 111.019 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.51 -39.2 9.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.637 175.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 93.7 mt -76.78 -16.86 59.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.663 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.485 HG21 ' O ' ' A' ' 10' ' ' TRP . 8.3 p -47.63 -50.23 25.03 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.363 0.415 . . . . 0.0 111.789 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.76 -36.68 93.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.548 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -73.88 -30.1 62.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.921 0.391 . . . . 0.0 110.641 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 13' ' ' LEU . 79.4 mt -72.03 -41.74 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.288 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.739 ' HD2' ' HB2' ' A' ' 26' ' ' ASP . 85.8 tttt -63.12 -31.93 73.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.368 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.45 -43.07 61.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.118 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -65.17 -47.27 77.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.355 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.52 ' HB3' ' HH ' ' A' ' 47' ' ' TYR . 5.6 m-90 -120.76 100.73 7.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.981 177.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.68 -25.85 71.81 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.981 -0.554 . . . . 0.0 113.442 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.52 ' OD2' ' HB3' ' A' ' 46' ' ' ARG . 33.8 t70 -72.39 -20.34 61.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 111.343 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 mt -78.1 126.93 31.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.247 0.546 . . . . 0.0 110.82 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.422 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 5.7 m -79.81 127.37 32.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.679 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.739 ' HB2' ' HD2' ' A' ' 18' ' ' LYS . 19.1 t70 -56.7 -43.7 80.78 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.963 0.411 . . . . 0.0 110.924 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.95 -36.35 72.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.148 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.78 -36.76 67.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 25' ' ' THR . 72.5 mt -68.96 -47.55 65.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.957 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -75.51 46.47 0.35 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.27 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.83 -91.21 0.32 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.96 -79.64 0.33 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.472 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 4.6 m-20 -51.78 -48.61 63.71 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -168.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.613 ' HA2' ' CE2' ' A' ' 10' ' ' TRP . . . 77.85 -59.58 3.83 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.814 -0.708 . . . . 0.0 114.547 172.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 24.1 p-80 -50.58 165.11 0.11 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -174.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 39' ' ' LEU . . . -44.98 -43.03 8.76 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -170.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.456 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 11.5 mm-40 -61.5 -20.25 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.472 ' CD1' ' HB2' ' A' ' 33' ' ' ASP . 43.7 t80 -81.34 -32.93 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 36' ' ' ALA . 7.4 mp -61.33 -47.31 86.48 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 90.1 t -55.66 -44.97 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.365 177.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.15 -44.83 96.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.59 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -72.75 -32.73 65.87 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.743 -0.269 . . . . 0.0 111.458 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 92.9 mt -65.48 -34.2 77.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 110.099 175.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 14.5 mm100 -74.2 -40.12 62.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.266 175.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.77 -49.16 69.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.793 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.52 ' HB3' ' OD2' ' A' ' 23' ' ' ASP . 18.2 mmm180 -77.62 -65.08 1.01 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.437 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.52 ' HH ' ' HB3' ' A' ' 21' ' ' TRP . 87.6 m-85 -80.4 -74.01 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.944 0.402 . . . . 0.0 110.763 -177.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.14 66.18 0.65 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.591 -175.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -103.17 -168.6 1.53 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.6 p -86.31 148.65 25.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 164.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HG3' HG13 ' A' ' 40' ' ' VAL . 82.3 tttt -59.0 -36.67 75.32 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.854 -177.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.0 -40.64 96.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.001 0.429 . . . . 0.0 110.842 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -67.43 -40.09 85.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.908 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.44 -46.69 87.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.365 176.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 47.7 mt-10 -52.82 -46.12 67.58 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -60.18 -44.73 94.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.128 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 10.4 mm-40 -72.4 -35.07 68.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 54' ' ' ALA . 73.6 t -64.29 -44.0 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 110.719 176.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 59' ' ' ARG . 69.5 mtm-85 -71.65 -23.59 61.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.763 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 57' ' ' GLU . 9.8 t70 -63.39 -45.89 88.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.891 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.451 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 90.0 t80 -65.25 -36.15 83.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.161 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.6 m -64.98 -31.07 72.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.595 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.81 -28.4 65.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.363 0.602 . . . . 0.0 110.051 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -79.54 -8.36 59.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.77 -179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 81.6 mt . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.59 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -84.49 149.16 26.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.143 0.497 . . . . 0.0 111.478 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p -162.61 103.73 1.06 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.673 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -86.14 153.97 21.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.502 -175.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 m -109.75 -19.14 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.533 -178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.08 -43.04 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.152 0.501 . . . . 0.0 109.987 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -53.34 -33.79 54.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.491 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.95 -45.7 4.73 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.773 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HD2' ' OE1' ' A' ' 12' ' ' GLN . 33.9 mmtp -93.0 30.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.514 -0.403 . . . . 0.0 110.703 -176.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -51.2 -59.79 3.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.645 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -67.33 -24.89 65.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.262 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.432 ' OE1' ' HD2' ' A' ' 9' ' ' LYS . 51.9 mt-30 -75.43 -37.96 60.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.146 0.498 . . . . 0.0 110.03 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.26 3.28 36.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.072 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.2 p -54.37 -51.94 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.069 0.461 . . . . 0.0 111.332 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.98 -25.73 75.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.454 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -77.15 -40.08 46.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.034 0.445 . . . . 0.0 110.116 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.493 HG21 ' CZ3' ' A' ' 21' ' ' TRP . 87.7 mt -64.49 -37.46 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.773 174.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 29.3 ttpp -67.2 -22.12 65.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.579 176.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -86.12 -41.96 14.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.95 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -61.63 -51.39 68.69 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.31 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.493 ' CZ3' HG21 ' A' ' 17' ' ' ILE . 12.0 m-90 -92.85 -42.85 9.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.865 0.364 . . . . 0.0 111.161 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 18' ' ' LYS . . . 100.42 -50.78 1.05 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.123 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.83 -8.71 59.56 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -173.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.0 mt -78.93 108.52 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.025 0.44 . . . . 0.0 110.607 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 1.2 p -68.44 124.94 24.93 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.768 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 9.1 p-10 -64.72 -23.79 67.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.822 -177.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.89 -38.61 82.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.381 0.61 . . . . 0.0 109.704 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.527 ' O ' ' HE2' ' A' ' 42' ' ' LYS . 6.5 m-20 -86.55 -11.84 50.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.569 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 25' ' ' THR . 97.0 mt -89.15 -28.74 19.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.698 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 26' ' ' ASP . 55.6 mt-30 -67.35 97.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.5 -164.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.692 -172.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.13 -76.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.215 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -92.32 154.43 18.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.844 0.354 . . . . 0.0 111.797 -176.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -113.04 8.58 25.22 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.914 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.14 146.69 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.579 0.228 . . . . 0.0 111.071 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.504 ' HA ' HD12 ' A' ' 39' ' ' LEU . . . -53.09 -32.05 45.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.337 -174.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.49 -23.12 64.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -77.1 -38.35 52.45 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.972 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 36' ' ' ALA . 7.0 mp -58.99 -43.44 91.43 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.604 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 92.6 t -54.42 -46.26 70.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.533 176.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.73 -45.3 95.02 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.711 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.527 ' HE2' ' O ' ' A' ' 28' ' ' ASP . 40.1 mmtm -73.99 -30.41 62.47 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.683 -0.304 . . . . 0.0 111.464 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 86.4 mt -64.73 -35.99 82.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.228 174.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.604 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 13.1 mm100 -71.58 -35.22 70.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.123 0.487 . . . . 0.0 109.909 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.96 -39.42 87.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.877 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -87.57 -59.97 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -91.66 -71.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.958 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.34 75.44 1.07 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -173.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -106.12 -168.83 1.49 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.973 0.416 . . . . 0.0 110.234 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -80.63 150.0 29.63 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 170.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.527 ' HD2' HG13 ' A' ' 40' ' ' VAL . 29.2 tptp -50.87 -50.82 56.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 0.0 110.9 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 31.0 tt0 -69.47 -35.5 75.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.15 99.24 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.458 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.82 -41.8 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.331 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -60.27 -45.01 94.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.904 177.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 27.8 mt-30 -58.24 -37.7 75.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.988 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.03 -35.7 69.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.494 HG11 HD23 ' A' ' 39' ' ' LEU . 58.0 t -68.2 -36.6 75.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.519 0.676 . . . . 0.0 109.593 174.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -64.62 -37.81 88.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.761 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.479 ' CG ' HH22 ' A' ' 64' ' ' ARG . 13.1 t70 -58.55 -46.72 86.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.305 175.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.77 -30.53 70.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.075 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.2 m -73.84 -25.63 60.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.253 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -72.14 -32.85 67.29 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.13 0.491 . . . . 0.0 110.96 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.479 HH22 ' CG ' ' A' ' 60' ' ' ASP . 7.1 mtm180 -125.19 36.79 4.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.272 -177.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.296 -0.859 . . . . 0.0 108.777 176.819 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.507 0.194 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -87.55 69.03 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.731 0.777 . . . . 0.0 109.33 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -118.69 41.49 2.99 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.39 132.56 47.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.723 -171.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.66 2.03 8.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.868 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.6 mm -91.9 -37.07 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 110.455 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HG2' ' HB3' ' A' ' 35' ' ' HIS . 37.5 mtmm -72.95 -16.36 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.24 131.3 10.58 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.64 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 67.02 28.82 8.31 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -47.99 -48.72 32.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.263 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -74.14 -4.65 37.06 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.733 -0.387 . . . . 0.0 112.016 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -98.5 -17.31 18.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.542 0.686 . . . . 0.0 109.66 174.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.48 -4.75 57.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.211 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -56.65 -53.99 51.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.381 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.24 -27.07 71.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.183 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 45.1 tptt -73.12 -39.97 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.985 0.422 . . . . 0.0 110.583 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.439 HG22 ' CE3' ' A' ' 21' ' ' TRP . 79.0 mt -70.81 -44.15 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.147 0.499 . . . . 0.0 110.333 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.89 -35.52 76.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.235 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.05 -34.95 72.52 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.003 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -84.69 -68.35 0.73 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.763 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.474 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 4.4 m-90 -82.26 -24.83 34.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -169.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.15 -58.7 3.98 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.86 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.13 -31.0 72.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.949 0.374 . . . . 0.0 111.045 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.5 mt -67.02 111.26 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.6 p -79.04 149.57 32.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.307 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -68.43 -18.34 64.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.32 -51.26 69.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.298 172.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -62.26 -40.69 97.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.128 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.47 -21.54 60.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.118 -176.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -87.49 20.07 3.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.507 0.67 . . . . 0.0 110.433 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.52 -76.69 0.56 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.472 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.34 -165.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -168.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -69.19 0.2 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.495 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.58 110.26 2.23 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.557 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.52 ' ND1' ' HB3' ' A' ' 37' ' ' GLU . 1.9 p80 -173.63 157.57 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.23 -37.64 64.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.301 0.572 . . . . 0.0 111.227 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.52 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 36.2 tt0 -60.47 -33.52 72.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.026 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.466 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 77.6 t80 -74.49 -32.27 62.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.221 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 10.7 mp -59.7 -45.93 90.63 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.302 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.5 -45.11 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.326 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.95 -45.46 95.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.219 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -60.78 -41.25 95.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.693 0.283 . . . . 0.0 111.061 178.01 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 93.4 mt -65.43 -35.93 82.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 13.4 mm-40 -75.12 -38.27 61.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.042 0.449 . . . . 0.0 110.609 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.04 -44.18 77.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.047 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.659 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -83.25 -58.21 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.408 -179.341 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -86.29 -67.22 0.83 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.169 0.509 . . . . 0.0 111.423 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.45 53.77 1.79 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.474 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 20.5 m0 -82.92 179.84 7.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 110.902 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -66.55 143.56 56.97 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 168.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -62.1 -42.78 99.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -169.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -29.43 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.531 -177.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ttm-85 -65.92 -48.11 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.515 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.496 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -59.54 -50.72 72.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.7 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.24 -43.25 95.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.919 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.36 -40.81 95.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.261 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.5 -33.1 74.93 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.899 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.496 HG21 ' O ' ' A' ' 54' ' ' ALA . 98.9 t -64.38 -45.17 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.421 . . . . 0.0 110.035 174.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -61.89 -42.96 99.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.855 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.9 -43.3 99.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.464 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 87.2 t80 -57.33 -46.26 83.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.604 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -68.89 -29.57 67.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.16 -37.8 84.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.984 0.421 . . . . 0.0 110.853 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -91.29 14.0 15.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.317 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.599 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.783 0.325 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -108.95 170.29 8.14 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -81.48 20.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.021 0.438 . . . . 0.0 111.037 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -78.6 2.21 20.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.155 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.4 m -72.56 -17.35 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.0 mm -78.09 -20.42 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.457 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -70.03 -24.04 63.21 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.499 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.9 140.56 15.48 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.653 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.8 mttp 69.88 17.11 7.61 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.008 0.523 . . . . 0.0 110.639 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.499 ' O ' HG23 ' A' ' 14' ' ' THR . 60.2 t-105 -50.47 -41.84 53.64 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.579 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -54.84 -39.34 68.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.6 tm0? -86.91 -35.45 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.991 -177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 87.8 mt -61.19 -26.31 67.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.862 -177.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.52 HG22 ' HB2' ' A' ' 30' ' ' GLN . 42.9 p -50.34 -39.93 47.67 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.746 0.308 . . . . 0.0 111.691 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.95 -39.65 98.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.54 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.95 -29.65 58.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.904 0.383 . . . . 0.0 110.688 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 13' ' ' LEU . 70.5 mt -67.15 -42.54 88.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.32 0.581 . . . . 0.0 109.749 174.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HD2' ' HA2' ' A' ' 22' ' ' GLY . 21.0 tptm -65.03 -38.35 90.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.926 174.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.3 -43.07 82.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.847 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -71.18 -69.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.975 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.441 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . 15.5 m-90 -85.47 -44.6 12.59 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -168.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' HA2' ' HD2' ' A' ' 18' ' ' LYS . . . 85.04 -43.87 3.31 Favored Glycine 0 C--N 1.313 -0.722 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.296 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 6.5 m-20 -67.75 -23.28 65.22 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.914 0.357 . . . . 0.0 111.008 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.9 mt -74.6 109.53 8.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.226 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.715 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -57.71 128.99 39.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.225 175.698 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.74 -30.91 69.64 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.244 -0.285 . . . . 0.0 110.864 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -69.88 -22.6 63.22 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.037 0.446 . . . . 0.0 110.301 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.715 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 2.4 t70 -78.93 -41.1 30.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.644 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -74.03 -48.83 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.069 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.52 ' HB2' HG22 ' A' ' 14' ' ' THR . 10.4 tt0 -79.99 87.42 5.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.24 0.543 . . . . 0.0 109.739 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.73 -66.44 0.13 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.18 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.37 -153.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.94 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.35 -70.04 0.16 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.275 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.15 -20.51 3.77 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.802 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -46.91 142.3 3.54 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.557 0.178 . . . . 0.0 111.018 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.27 -32.88 57.34 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -170.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.67 -28.59 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -75.03 -38.27 61.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.46 -42.94 98.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.573 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.467 HG13 ' HB2' ' A' ' 54' ' ' ALA . 88.6 t -56.94 -46.25 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.459 175.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.78 -45.1 97.12 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.648 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.504 ' HD2' ' OD2' ' A' ' 28' ' ' ASP . 27.7 mmtp -69.61 -29.84 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.717 -0.284 . . . . 0.0 111.368 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.91 -37.78 86.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.046 0.451 . . . . 0.0 109.962 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.566 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 46.9 mt-30 -76.07 -14.92 60.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.195 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -90.96 -53.42 4.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.625 0.25 . . . . 0.0 110.898 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -73.98 -49.21 25.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 111.051 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.441 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 59.3 m-85 -92.17 -34.52 14.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.012 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.566 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 78.38 39.62 21.89 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.247 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -83.16 173.52 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 111.141 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.87 156.08 40.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.463 173.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.513 ' HZ1' ' CD ' ' A' ' 55' ' ' GLU . 14.9 tmtt? -61.29 -51.83 67.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.744 0.307 . . . . 0.0 110.96 -175.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.77 -32.38 70.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 110.416 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 19.8 ttm180 -60.36 -46.67 89.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.232 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.467 ' HB2' HG13 ' A' ' 40' ' ' VAL . . . -61.79 -39.01 90.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.739 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.513 ' CD ' ' HZ1' ' A' ' 51' ' ' LYS . 46.7 mt-10 -58.56 -46.67 86.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -61.25 -38.54 87.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.265 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 9.7 mm-40 -66.17 -42.05 89.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.698 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 54' ' ' ALA . 68.4 t -65.01 -32.6 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.18 0.514 . . . . 0.0 110.335 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -64.03 -40.71 96.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.273 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.13 -42.68 99.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.303 0.573 . . . . 0.0 110.061 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.534 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 77.9 t80 -63.67 -46.26 86.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.782 178.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.428 ' HA ' HD12 ' A' ' 65' ' ' LEU . 25.6 m -68.42 -29.7 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.589 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.56 -46.51 88.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.947 0.404 . . . . 0.0 111.184 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -87.84 16.06 6.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.699 -175.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 88.1 mt . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.563 172.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -129.46 -176.69 3.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.028 -177.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 m -79.49 -49.84 11.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 0.0 110.165 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -126.9 135.46 50.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 m -126.58 12.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.999 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' HA ' ' CD1' ' A' ' 13' ' ' LEU . 43.0 mt -91.84 -17.08 7.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 121.378 0.609 . . . . 0.0 110.613 -176.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 35' ' ' HIS . 4.2 ttpm? -67.01 -11.83 58.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.419 0.628 . . . . 0.0 110.087 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.6 177.87 21.44 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.8 mptp? 60.91 15.86 6.41 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.294 0.547 . . . . 0.0 111.407 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.495 ' CD1' ' HB1' ' A' ' 31' ' ' ALA . 33.7 t-105 -54.72 -41.53 70.45 Favored 'General case' 0 C--N 1.333 -0.121 0 O-C-N 123.166 0.291 . . . . 0.0 111.42 -174.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -61.99 -23.84 66.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.832 0.349 . . . . 0.0 111.347 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -92.81 -25.65 18.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.893 0.378 . . . . 0.0 110.637 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.533 ' O ' HG13 ' A' ' 17' ' ' ILE . 87.8 mt -82.34 -38.44 24.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.597 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.41 HG21 ' O ' ' A' ' 10' ' ' TRP . 1.7 t -50.84 -39.21 52.8 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.02 -35.69 91.8 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.038 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 41.8 tttm -89.45 -18.86 25.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.129 0.49 . . . . 0.0 110.382 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 13' ' ' LEU . 83.5 mt -69.48 -43.72 80.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.9 -28.12 68.7 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.944 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 26.3 tt0 -62.59 -48.11 80.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.972 174.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 20' ' ' ARG . 21.6 ttt180 -70.88 -67.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.406 ' CE3' HG21 ' A' ' 17' ' ' ILE . 13.2 m-90 -89.83 99.19 12.24 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.46 -1.45 29.18 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 113.94 -173.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 28.7 t70 -102.67 -11.63 18.27 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.247 -0.561 . . . . 0.0 110.546 179.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.4 mt -83.71 99.06 10.0 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.08 150.84 30.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.198 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.03 -8.94 53.35 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.328 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.93 -35.23 76.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.481 0.658 . . . . 0.0 109.755 172.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.76 -31.99 16.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.224 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.66 10.11 8.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.768 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -63.12 122.59 16.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.495 ' HB1' ' CD1' ' A' ' 10' ' ' TRP . . . -68.06 90.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -172.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.03 -47.47 8.9 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 168.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -137.56 97.94 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.246 -0.888 . . . . 0.0 108.964 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.54 108.75 3.07 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.987 -169.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 1.8 p80 -173.26 163.92 4.65 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.689 0.396 . . . . 0.0 110.125 173.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.31 96.51 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -173.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 37' ' ' GLU . 1.8 mp0 -58.18 -29.96 66.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.816 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.469 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 66.0 t80 -69.78 -37.3 76.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.902 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 42.5 tp -62.89 -43.55 98.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.82 176.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.419 HG21 HG22 ' A' ' 58' ' ' VAL . 57.3 t -56.01 -46.86 80.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.128 176.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.34 -44.64 97.34 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.31 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 69.5 mmtt -67.34 -30.35 70.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.579 0.228 . . . . 0.0 111.498 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 93.5 mt -65.21 -32.84 74.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.959 0.409 . . . . 0.0 110.118 174.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -80.94 -24.68 37.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -80.12 -48.93 12.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.384 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -86.34 -49.02 7.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.767 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 23' ' ' ASP . 40.6 m-85 -87.49 -45.78 10.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.861 0.362 . . . . 0.0 110.738 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.55 38.36 5.89 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.045 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -83.19 163.72 20.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.11 0.481 . . . . 0.0 111.473 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.5 m -69.13 158.15 35.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.887 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -57.68 -54.02 51.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 -174.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.62 -40.05 92.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -177.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -59.63 -48.58 81.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.8 -48.14 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.08 -43.99 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.425 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.492 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 14.6 mm-40 -56.56 -36.81 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.558 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -82.47 -28.75 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.335 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 54' ' ' ALA . 75.9 t -64.13 -47.86 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.84 0.352 . . . . 0.0 110.283 174.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.492 ' HD2' ' OE1' ' A' ' 56' ' ' GLN . 4.4 ptp180 -72.77 -13.44 61.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -82.89 -32.02 27.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.293 0.568 . . . . 0.0 109.763 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 85.1 t80 -61.98 -41.93 98.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.017 175.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.514 ' HA ' HD12 ' A' ' 65' ' ' LEU . 30.3 m -69.55 -17.45 63.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.566 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.35 -31.43 63.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.597 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 64' ' ' ARG . 16.7 ttm180 -118.47 74.76 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.323 0.582 . . . . 0.0 110.378 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 62' ' ' SER . 54.0 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.908 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.888 0.375 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.46 85.92 7.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.176 0.512 . . . . 0.0 109.932 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -119.6 -29.69 5.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.334 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.479 ' OD2' ' HB2' ' A' ' 35' ' ' HIS . 14.8 t0 67.84 108.33 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.221 0.951 . . . . 0.0 111.212 177.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.8 m -85.93 -11.46 11.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.569 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mt -88.02 -19.43 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.577 0.703 . . . . 0.0 109.782 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 35' ' ' HIS . 61.7 tttp -67.0 -24.37 66.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.18 174.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.53 143.51 16.33 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.633 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 63.74 26.64 14.52 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 122.558 0.343 . . . . 0.0 111.504 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.486 ' O ' HG23 ' A' ' 14' ' ' THR . 71.4 t-105 -59.93 -30.34 68.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.032 0.444 . . . . 0.0 110.228 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -64.66 -23.28 67.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.615 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -98.8 -45.08 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.331 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 17' ' ' ILE . 74.8 mt -61.65 -25.26 67.27 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.47 -173.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.776 HG22 HE21 ' A' ' 30' ' ' GLN . 3.2 p -51.89 -42.1 62.45 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.129 0.268 . . . . 0.0 111.599 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.5 -42.52 98.92 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.2 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.44 -35.72 75.93 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.718 -0.283 . . . . 0.0 111.003 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 HD11 HD23 ' A' ' 39' ' ' LEU . 90.1 mt -65.31 -44.07 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.33 0.586 . . . . 0.0 109.875 176.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 58.0 tttm -61.58 -46.84 88.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.903 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.21 -15.62 59.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.758 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -68.71 -59.43 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.972 0.415 . . . . 0.0 110.596 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.419 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 12.3 m-90 -94.82 -32.65 13.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.735 -176.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.71 -48.44 1.1 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.51 -0.853 . . . . 0.0 114.105 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -83.83 -12.41 55.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 111.387 -174.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 93.7 mt -71.68 129.16 38.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.061 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.6 p -90.14 155.97 18.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.38 -36.62 84.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.062 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.5 -45.68 89.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.653 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -29.54 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.214 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' HB3' HG21 ' A' ' 14' ' ' THR . 85.0 mt -85.95 -46.46 10.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.885 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.776 HE21 HG22 ' A' ' 14' ' ' THR . 19.2 mm-40 -65.58 -10.05 32.0 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -177.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.44 69.44 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.21 -163.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -167.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -78.44 -45.14 22.95 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.419 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.91 -127.15 4.49 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.289 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.695 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 20.4 p80 55.98 157.78 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.812 1.245 . . . . 0.0 113.56 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.73 -41.99 78.46 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -170.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.695 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 32.7 mm-40 -51.01 -37.64 46.35 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -73.7 -31.49 63.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.811 0.338 . . . . 0.0 110.482 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 76.2 mt -60.33 -48.44 81.75 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.87 176.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.5 t -54.19 -37.99 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.499 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.58 -57.41 12.84 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.234 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 10.6 mmpt? -61.47 -36.97 81.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.31 . . . . 0.0 111.601 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 96.2 mt -68.5 -33.76 74.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.107 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 82.6 mt-30 -81.34 -28.31 34.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.297 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -69.35 -59.57 2.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.133 0.492 . . . . 0.0 110.9 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -71.99 -48.8 42.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.299 -173.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -97.24 -70.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 107.48 49.65 0.85 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.956 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.419 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 5.7 m0 -84.31 164.76 18.8 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -59.6 149.29 30.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 173.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -40.46 80.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.641 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.95 -49.43 76.15 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.263 0.554 . . . . 0.0 110.151 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 53' ' ' ARG . 23.4 ttt180 -61.46 -35.94 79.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.943 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.42 -51.7 67.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.613 177.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.51 -42.48 78.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.051 0.453 . . . . 0.0 110.842 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -51.92 -53.88 35.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.099 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -68.48 -27.45 66.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.885 -176.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 54' ' ' ALA . 79.5 t -64.83 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.218 175.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -67.27 -38.08 84.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.31 -23.58 64.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.791 0.329 . . . . 0.0 110.73 178.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -69.02 -37.46 78.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.607 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 p -74.78 -2.69 27.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.765 0.316 . . . . 0.0 111.756 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.05 -50.86 9.14 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 172.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HE ' ' C ' ' A' ' 64' ' ' ARG . 1.2 tpm_? -101.85 69.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.933 0.873 . . . . 0.0 108.986 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--O 1.247 0.946 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.652 178.671 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -126.51 -79.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.444 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 p -104.74 7.4 34.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.771 ' HB3' ' HE3' ' A' ' 7' ' ' LYS . 12.7 t0 68.68 117.05 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.91 0.756 . . . . 0.0 111.636 -177.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.9 m -90.05 -12.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.418 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.48 -22.16 26.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.159 0.504 . . . . 0.0 110.307 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.771 ' HE3' ' HB3' ' A' ' 4' ' ' ASP . 92.3 mttt -60.21 -33.33 72.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.949 176.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.8 -14.65 10.02 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.641 -175.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -107.84 12.13 27.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 117.093 0.447 . . . . 0.0 111.345 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.649 ' HE1' ' HA ' ' A' ' 30' ' ' GLN . 68.3 t-105 -51.27 -55.1 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.936 0.346 . . . . 0.0 111.936 -176.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' HA ' HG23 ' A' ' 14' ' ' THR . 52.1 tttp -73.18 -17.26 61.39 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.829 -176.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -78.64 -20.2 50.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.216 0.531 . . . . 0.0 109.955 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.49 ' HB3' HG13 ' A' ' 17' ' ' ILE . 95.9 mt -105.77 7.64 32.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.371 -174.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.485 HG23 ' HA ' ' A' ' 11' ' ' LYS . 3.4 p -58.36 -32.63 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.482 ' O ' ' HG2' ' A' ' 19' ' ' GLU . . . -93.17 -38.27 5.44 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.778 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -63.69 -44.12 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.929 0.491 . . . . 0.0 111.765 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.49 HG13 ' HB3' ' A' ' 13' ' ' LEU . 76.7 mt -62.06 -38.2 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.076 0.465 . . . . 0.0 110.661 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -68.34 -28.98 67.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.57 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 15' ' ' GLY . 32.5 mm-40 -77.18 -33.11 56.5 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.819 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.57 -43.65 89.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.586 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 11.8 m-90 -111.78 -93.53 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.285 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.33 -47.12 0.61 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 119.452 -1.356 . . . . 0.0 114.432 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.63 -22.29 60.97 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 117.276 0.538 . . . . 0.0 110.824 -173.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.449 HD21 ' HG2' ' A' ' 46' ' ' ARG . 89.8 mt -64.3 116.83 6.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.462 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.4 p -82.51 172.66 12.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 111.233 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -71.81 -20.04 61.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.04 -173.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -83.13 -28.78 29.19 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.504 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -76.75 -24.3 52.98 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 174.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' O ' HG21 ' A' ' 14' ' ' THR . 81.9 mt -93.04 20.29 6.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.023 176.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.649 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . 21.2 tp60 -142.52 -179.64 6.42 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.612 ' H ' ' HG3' ' A' ' 30' ' ' GLN . . . 59.09 43.7 17.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.41 0.624 . . . . 0.0 110.074 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.547 ' HB1' ' CE2' ' A' ' 10' ' ' TRP . . . -67.19 143.94 56.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.423 -173.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -79.42 -17.58 54.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 168.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 35' ' ' HIS . . . 93.02 56.28 1.51 Allowed Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.018 -0.992 . . . . 0.0 114.063 169.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.667 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 7.5 p80 174.3 155.51 0.13 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 117.046 0.423 . . . . 0.0 111.23 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.47 71.41 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.667 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 3.2 mp0 -58.36 -25.76 62.38 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.846 0.355 . . . . 0.0 111.166 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -72.57 -33.89 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 109.963 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 31.2 tp -69.43 -40.64 77.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.575 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.446 HG21 HG22 ' A' ' 58' ' ' VAL . 59.0 t -58.98 -46.64 91.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.059 175.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.57 -42.13 97.59 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.025 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 53.6 mmtt -63.91 -31.76 73.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 87.9 mt -68.76 -36.82 78.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.866 0.365 . . . . 0.0 110.492 176.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.435 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 50.9 mt-30 -76.35 -20.4 57.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.013 0.435 . . . . 0.0 110.834 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.37 -51.86 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.023 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HG2' HD21 ' A' ' 24' ' ' LEU . 7.6 tpt180 -77.93 -46.23 21.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 -176.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -94.74 -52.07 4.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.853 0.358 . . . . 0.0 111.014 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 94.55 42.27 3.96 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.907 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -86.99 176.88 7.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.2 m -72.9 156.06 39.25 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 51' ' ' LYS . 34.0 ttmt -59.25 -47.33 85.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.615 0.245 . . . . 0.0 111.213 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 32.8 tt0 -62.34 -43.96 97.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.372 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -56.1 -42.32 76.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.108 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.59 -44.69 81.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.992 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.42 -42.78 88.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.804 0.335 . . . . 0.0 111.133 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 96.0 mt-30 -59.36 -42.86 92.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.978 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -65.3 -38.47 90.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.004 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 HG22 HG21 ' A' ' 40' ' ' VAL . 85.5 t -65.82 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.362 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -63.4 -33.24 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.609 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.53 -55.73 18.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.095 0.474 . . . . 0.0 109.847 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -58.79 -40.8 85.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.503 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.0 p -69.69 -19.36 63.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -74.77 -23.28 58.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.241 0.543 . . . . 0.0 110.06 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 7.8 35.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.004 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.772 -0.633 . . . . 0.0 110.498 -179.497 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtt . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.56 -51.52 69.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.182 -172.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m -71.69 -14.14 61.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.145 0.497 . . . . 0.0 111.402 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 7' ' ' LYS . 7.5 m-20 -101.84 24.65 9.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.323 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.92 -58.94 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.92 -27.96 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.445 0.641 . . . . 0.0 110.029 177.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 4' ' ' ASP . 66.6 tttt -56.52 -37.1 69.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.502 178.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 9' ' ' LYS . . . -113.74 144.41 18.18 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 33.8 mtmm 79.54 15.61 0.92 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.662 0.785 . . . . 0.0 110.215 -175.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.432 ' O ' HG22 ' A' ' 14' ' ' THR . 55.8 t-105 -50.82 -43.27 58.92 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.426 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -20.43 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.242 -176.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.443 ' HA ' ' OE1' ' A' ' 12' ' ' GLN . 9.6 mm-40 -91.34 -30.39 16.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.195 0.522 . . . . 0.0 110.342 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.2 mt -81.52 -9.0 59.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.064 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 10' ' ' TRP . 15.6 p -46.49 -55.17 7.91 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -177.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.12 -31.18 75.83 Favored Glycine 0 CA--C 1.517 0.219 0 C-N-CA 121.113 -0.565 . . . . 0.0 113.139 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -82.93 -38.97 22.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.855 0.36 . . . . 0.0 110.305 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.99 -48.94 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.3 0.572 . . . . 0.0 109.695 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -53.57 -50.08 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.504 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -84.55 -5.85 59.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.373 -168.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 49.6 ttt-85 -74.81 -55.17 6.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.308 0.575 . . . . 0.0 109.674 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.461 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 20.7 m-90 -82.35 -36.13 27.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.0 -31.0 5.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.144 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 46' ' ' ARG . 34.6 t70 -84.63 -34.66 23.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.174 0.487 . . . . 0.0 110.947 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.478 HD23 ' HG3' ' A' ' 46' ' ' ARG . 88.2 mt -57.71 130.06 44.7 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.399 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.3 p -96.77 160.05 14.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -71.38 -10.58 60.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.418 . . . . 0.0 109.891 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.41 -41.08 61.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.318 174.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -66.94 -30.67 70.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.189 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -92.06 7.99 39.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.716 -172.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -125.5 18.78 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.623 0.725 . . . . 0.0 109.349 175.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.45 -60.2 2.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.756 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.78 -157.7 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -167.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.551 ' HB3' ' HD2' ' A' ' 35' ' ' HIS . 15.8 t70 -50.81 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.81 -173.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.28 -23.64 1.72 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.439 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.551 ' HD2' ' HB3' ' A' ' 33' ' ' ASP . 3.6 p80 -50.25 132.23 24.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.8 0.3 . . . . 0.0 110.455 175.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.549 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -52.17 -33.47 40.67 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.611 0.569 . . . . 0.0 112.043 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.511 ' HB3' ' HD1' ' A' ' 35' ' ' HIS . 62.4 tt0 -50.84 -34.54 28.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.547 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -69.63 -42.35 74.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.171 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.709 HD13 HG21 ' A' ' 58' ' ' VAL . 2.4 pp -70.84 -22.12 62.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.443 HG21 HG22 ' A' ' 58' ' ' VAL . 93.8 t -60.61 -46.26 95.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.695 171.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.17 -35.59 92.28 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.738 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 54.6 mmtt -64.32 -35.31 80.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.554 0.216 . . . . 0.0 111.097 176.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 86.8 mt -67.04 -35.45 79.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.956 0.408 . . . . 0.0 110.086 176.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -71.78 -30.96 66.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.288 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.39 -59.21 2.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.055 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG3' HD23 ' A' ' 24' ' ' LEU . 14.1 mmm180 -69.95 -44.72 68.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.637 -174.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -102.07 -61.62 1.36 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.83 0.347 . . . . 0.0 110.824 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.83 51.4 0.9 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.416 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.461 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 14.6 m0 -91.71 169.02 11.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.164 0.507 . . . . 0.0 110.89 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 m -74.62 158.16 34.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.443 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.17 -45.79 90.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.83 -172.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.17 -31.8 73.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.964 0.411 . . . . 0.0 111.437 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -75.12 -44.19 48.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.759 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -60.2 -44.58 95.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.827 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.89 -39.5 92.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.186 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.26 -42.41 98.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.767 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' HG3' ' CZ3' ' A' ' 49' ' ' TRP . 46.3 mm-40 -60.92 -44.49 97.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.754 177.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.709 HG21 HD13 ' A' ' 39' ' ' LEU . 59.0 t -63.21 -43.95 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.456 177.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -62.08 -42.87 99.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.951 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -59.4 -45.81 90.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.077 0.465 . . . . 0.0 110.303 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.488 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 88.4 t80 -63.71 -49.36 73.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.984 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -67.07 -34.69 78.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.611 -175.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -70.75 -29.53 65.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.079 0.466 . . . . 0.0 110.424 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -93.42 13.08 22.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.499 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 70.7 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.107 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HG3' ' H ' ' A' ' 2' ' ' ASN . 22.3 ptt? . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 111.205 0.076 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.446 ' H ' ' HG3' ' A' ' 1' ' ' MET . 24.7 t-20 -177.19 -68.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -78.05 52.45 1.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.476 0.655 . . . . 0.0 109.916 176.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -81.45 95.98 7.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.473 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.09 -16.44 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.325 0.583 . . . . 0.0 110.799 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.469 ' HA ' HD11 ' A' ' 13' ' ' LEU . 30.7 mt -65.86 -27.88 42.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.42 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HZ1' ' CG ' ' A' ' 33' ' ' ASP . 55.8 tptt -58.59 -36.1 73.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.257 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.87 -52.48 1.39 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.99 -175.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -89.71 29.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.632 0.253 . . . . 0.0 111.62 -174.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -51.48 -45.28 62.75 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.988 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.86 -12.28 61.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -175.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -98.72 -28.63 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.224 0.535 . . . . 0.0 110.151 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.469 HD11 ' HA ' ' A' ' 6' ' ' ILE . 92.5 mt -84.21 0.8 47.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.46 -176.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 p -54.04 -54.42 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.502 . . . . 0.0 110.728 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -72.23 -13.27 76.64 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.706 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -38.38 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.986 0.422 . . . . 0.0 110.193 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.511 HG21 ' CE3' ' A' ' 21' ' ' TRP . 76.1 mt -66.14 -44.99 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.376 0.608 . . . . 0.0 109.703 175.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.19 -33.9 72.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.527 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 20.7 tt0 -67.0 -26.95 67.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.785 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 20' ' ' ARG . 36.9 ttt85 -90.49 -71.3 0.63 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 -178.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.511 ' CE3' HG21 ' A' ' 17' ' ' ILE . 5.3 m-90 -82.89 -47.88 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 110.886 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.2 -39.11 2.87 Favored Glycine 0 C--N 1.314 -0.657 0 C-N-CA 120.923 -0.656 . . . . 0.0 114.366 172.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.68 -28.64 68.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 117.118 0.459 . . . . 0.0 110.686 -176.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.42 126.09 26.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.849 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.6 p -82.35 168.24 17.74 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.334 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.92 -27.91 68.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.206 0.527 . . . . 0.0 109.96 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.79 -31.25 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.992 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -70.81 -34.13 71.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.275 0.56 . . . . 0.0 110.292 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.5 mt -100.33 4.36 43.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.039 -171.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 6.8 tt0 -122.67 19.21 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.226 0.536 . . . . 0.0 110.453 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB2' ' OH ' ' A' ' 38' ' ' TYR . . . -99.83 -83.3 0.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -99.31 -164.86 1.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -170.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.537 ' CG ' ' HZ1' ' A' ' 7' ' ' LYS . 23.3 t70 -70.37 156.09 39.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.632 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.83 24.48 23.88 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.675 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 3.5 p80 -62.81 149.92 42.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.899 0.349 . . . . 0.0 110.401 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.43 68.35 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -55.97 -28.81 58.72 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.834 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' OH ' ' HB2' ' A' ' 31' ' ' ALA . 53.3 t80 -70.66 -42.03 71.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.896 0.379 . . . . 0.0 110.372 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 7.9 mp -67.11 -46.76 73.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.751 176.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' HA ' ' HB2' ' A' ' 54' ' ' ALA . 77.2 t -53.91 -49.32 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.627 177.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.83 -44.9 97.48 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.807 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.61 ' HG2' ' OE1' ' A' ' 45' ' ' GLU . 17.4 mttm -72.23 -27.45 62.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.918 0.359 . . . . 0.0 111.925 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 92.0 mt -68.91 -31.87 71.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 173.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -77.45 -28.67 52.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.587 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.61 ' OE1' ' HG2' ' A' ' 42' ' ' LYS . 45.9 mt-10 -69.04 -63.21 1.1 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.123 0.487 . . . . 0.0 110.877 175.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -77.46 -46.15 23.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.185 -169.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 73.3 m-85 -95.95 -38.54 10.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 0.0 111.234 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.24 40.78 8.92 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.834 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -83.05 168.61 16.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 110.637 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.7 m -76.49 153.23 35.7 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 172.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.59 -38.93 89.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.559 0.219 . . . . 0.0 110.784 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.6 -44.59 81.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.187 0.518 . . . . 0.0 110.188 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -70.21 -41.61 73.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.582 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . . . -58.71 -51.62 69.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.349 177.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.67 -46.27 74.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 175.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -61.06 -44.9 96.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -64.96 -42.06 94.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.45 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 54' ' ' ALA . 93.3 t -64.18 -47.78 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.757 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -62.67 -32.69 73.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.464 0.65 . . . . 0.0 110.583 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 34.0 t70 -75.8 -31.58 59.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.789 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -64.32 -44.41 91.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.518 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.503 ' HA ' HD12 ' A' ' 65' ' ' LEU . 5.5 p -67.95 -14.65 63.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.855 0.36 . . . . 0.0 111.198 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' A' ' 60' ' ' ASP . 21.4 t70 -68.18 -30.37 69.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -106.67 20.17 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.351 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 62' ' ' SER . 89.7 mt . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.337 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.676 0.274 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -145.32 152.55 40.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 0.0 110.896 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -110.32 -26.87 9.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.361 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.42 127.75 33.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.249 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.2 t -123.93 -17.92 4.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.534 173.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.7 mt -88.64 -4.35 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.921 -166.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -74.58 -5.51 43.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.738 . . . . 0.0 109.526 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -143.74 169.58 26.01 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.9 mttt 63.33 21.68 12.92 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.552 0.341 . . . . 0.0 111.286 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 32' ' ' ALA . 57.3 t-105 -54.18 -46.8 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.675 -176.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -77.28 -13.01 60.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 0.0 110.783 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -98.62 -12.57 20.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -106.25 7.64 31.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.823 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.466 HG23 ' HB3' ' A' ' 29' ' ' LEU . 17.2 p -56.96 -52.61 64.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.577 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.41 -35.28 91.84 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.468 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -65.26 -42.16 93.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.008 0.433 . . . . 0.0 110.149 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.469 HG23 ' CE3' ' A' ' 21' ' ' TRP . 98.8 mt -70.5 -45.95 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -63.35 -24.17 67.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.64 -37.79 87.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.282 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -84.58 -55.22 4.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.732 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.469 ' CE3' HG23 ' A' ' 17' ' ' ILE . 6.0 m0 -107.64 108.11 19.22 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.659 -175.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.07 -7.75 84.89 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.515 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 2.5 m-20 -83.86 -6.69 59.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.065 0.459 . . . . 0.0 110.634 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.4 mt -93.8 112.92 24.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.57 175.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.1 p -81.16 177.53 8.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.195 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.97 -37.33 76.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.265 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.02 -40.49 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.93 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -60.69 -38.21 84.21 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.818 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HB3' HG23 ' A' ' 14' ' ' THR . 78.7 mt -92.4 -0.0 57.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.346 -176.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -101.32 -44.6 5.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.264 0.554 . . . . 0.0 109.53 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.65 95.5 9.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.269 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.543 ' HB2' ' CE2' ' A' ' 10' ' ' TRP . . . -172.68 144.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.98 174.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.05 -33.06 63.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.128 0.489 . . . . 0.0 109.968 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.8 87.88 1.95 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.688 -0.767 . . . . 0.0 113.195 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.515 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 1.5 p80 -174.0 149.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 171.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' HB1' HG12 ' A' ' 58' ' ' VAL . . . -53.06 -37.51 61.67 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.822 0.701 . . . . 0.0 112.259 -173.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.515 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 40.9 tt0 -59.05 -34.46 71.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.375 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.459 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 36.0 t80 -75.71 -26.97 58.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 110.213 -176.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.526 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 10.2 mp -68.18 -39.31 82.56 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 174.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.88 -43.74 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.568 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -60.81 -50.47 67.18 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.205 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -61.2 -39.54 90.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.777 0.289 . . . . 0.0 111.713 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 84.5 mt -66.6 -36.14 81.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.917 0.389 . . . . 0.0 110.432 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -46.78 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 176.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 51.7 mm-40 -73.39 -41.26 63.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.878 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -82.57 -60.84 2.06 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 23' ' ' ASP . 35.0 m-85 -75.88 -56.96 4.17 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.059 0.456 . . . . 0.0 111.222 -177.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.1 38.17 3.41 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.441 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 45.1 m0 -84.0 160.39 21.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.694 0.283 . . . . 0.0 110.485 177.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 p -68.45 155.32 40.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.37 -42.17 98.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.517 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.22 -43.77 98.34 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.937 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -64.85 -46.86 80.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.382 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.516 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -55.68 -53.95 50.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.574 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -49.0 -46.9 44.62 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.26 0.553 . . . . 0.0 111.315 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -66.38 -48.59 69.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.178 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 60' ' ' ASP . 21.4 mt-10 -72.43 -23.85 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 54' ' ' ALA . 55.6 t -65.69 -46.25 89.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 0.0 110.211 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -69.81 -37.72 76.36 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.903 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' HB3' ' HA ' ' A' ' 57' ' ' GLU . 19.7 t70 -56.65 -35.79 68.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.504 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -68.03 -43.67 78.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.377 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.406 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 20.0 m -67.52 -28.89 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.208 0.527 . . . . 0.0 110.56 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.14 -30.31 66.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.296 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.18 7.17 36.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.155 -177.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.406 ' HG ' ' HA ' ' A' ' 62' ' ' SER . 86.9 mt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.576 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 66.4 mtt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.855 0.359 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -74.91 -33.73 62.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.071 0.462 . . . . 0.0 110.199 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p -79.62 42.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.398 0.618 . . . . 0.0 110.452 177.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.505 ' HB3' ' HG3' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -97.39 106.58 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.003 -174.658 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.3 m -98.45 -5.27 9.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.229 0.537 . . . . 0.0 110.148 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.427 HG22 HD22 ' A' ' 13' ' ' LEU . 16.6 mt -85.81 2.7 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.777 -175.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.505 ' HG3' ' HB3' ' A' ' 4' ' ' ASP . 53.7 mttm -77.31 -7.7 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.987 0.422 . . . . 0.0 110.36 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.28 172.37 23.84 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 178.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 mttm 64.2 16.98 10.43 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.699 0.4 . . . . 0.0 110.663 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -56.66 -39.7 74.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.188 -173.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -67.17 -23.75 65.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.799 0.333 . . . . 0.0 111.04 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -91.74 -29.97 16.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.924 0.392 . . . . 0.0 110.482 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.427 HD22 HG22 ' A' ' 6' ' ' ILE . 7.9 mp -72.81 -11.67 60.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.513 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -48.3 -67.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.66 -30.16 75.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.921 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -66.61 -44.53 81.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.987 0.422 . . . . 0.0 110.337 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.19 -38.51 70.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.283 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -55.23 -49.8 71.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.647 175.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -74.18 -18.98 60.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.151 0.5 . . . . 0.0 111.014 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -40.0 60.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.328 -178.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.497 ' HB2' HD13 ' A' ' 24' ' ' LEU . 4.8 m-90 -121.76 5.68 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 -177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.17 -71.67 1.45 Allowed Glycine 0 CA--C 1.519 0.305 0 C-N-CA 121.181 -0.533 . . . . 0.0 114.314 170.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.486 ' OD2' ' HD3' ' A' ' 46' ' ' ARG . 16.8 t70 -70.29 -24.03 62.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -171.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 21' ' ' TRP . 27.9 mt -59.48 105.32 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.73 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.597 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 36.8 m -79.77 149.28 31.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.636 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.78 -39.14 65.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.22 -36.63 84.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.288 -176.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.597 ' OD2' ' HB ' ' A' ' 25' ' ' THR . 14.6 m-20 -69.72 -27.25 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.192 0.52 . . . . 0.0 110.848 -178.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' A' ' 31' ' ' ALA . 81.3 mt -89.65 -48.15 7.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.731 -178.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -71.5 4.25 3.2 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.319 0.58 . . . . 0.0 110.909 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 29' ' ' LEU . . . -65.5 -64.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.21 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . . . -117.32 -96.0 0.47 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -144.72 172.63 12.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 111.998 -170.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 7' ' ' LYS . . . -109.59 129.75 9.6 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.636 -0.711 . . . . 0.0 113.389 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 2.0 p80 178.94 153.33 0.38 Allowed 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 174.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.19 -47.87 12.49 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -58.49 -28.07 65.03 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.544 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 49.8 t80 -74.66 -39.71 61.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.508 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.5 mp -65.08 -48.33 74.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.601 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -52.85 -47.08 52.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.655 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.91 -47.24 91.94 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.623 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 69.3 mmtt -65.65 -32.42 73.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.729 0.265 . . . . 0.0 111.462 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 95.4 mt -66.07 -34.17 77.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 110.247 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.505 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 55.1 mt-30 -83.93 -15.02 49.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.0 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -82.72 -51.31 7.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.94 0.4 . . . . 0.0 110.434 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HD3' ' OD2' ' A' ' 23' ' ' ASP . 4.4 mmp_? -70.84 -58.42 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.596 -177.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -98.12 -45.8 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.004 0.43 . . . . 0.0 111.21 -177.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 86.57 57.27 2.1 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.613 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.487 ' CZ3' ' HG3' ' A' ' 57' ' ' GLU . 25.2 m0 -84.38 174.02 10.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.985 0.421 . . . . 0.0 110.415 176.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 m -70.62 146.26 50.15 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 167.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.61 -35.26 75.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.817 0.341 . . . . 0.0 110.612 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.28 -43.2 99.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 53' ' ' ARG . 21.1 ttp-105 -68.49 -36.26 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.453 178.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.478 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.54 -45.04 94.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.609 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.51 -40.64 83.41 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.153 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -52.03 -56.12 16.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.208 0.528 . . . . 0.0 110.242 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 33.8 mm-40 -61.48 -40.46 94.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.487 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 54' ' ' ALA . 82.4 t -60.86 -46.51 96.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.721 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -66.72 -38.49 86.8 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.171 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.92 -37.88 77.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.163 0.506 . . . . 0.0 110.626 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -76.09 -41.66 49.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.717 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 m -64.0 -35.79 81.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.41 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -74.63 -17.34 60.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.328 0.585 . . . . 0.0 110.361 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -85.27 -19.32 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.634 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.724 -177.939 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.561 0.22 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -83.2 108.59 16.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -71.34 95.29 1.31 Allowed 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.407 ' CG ' ' HA ' ' A' ' 35' ' ' HIS . 21.4 t70 -103.76 148.97 25.45 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.511 -169.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.7 m -114.01 -1.15 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.035 0.445 . . . . 0.0 111.649 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.473 HG21 HD13 ' A' ' 13' ' ' LEU . 51.8 mt -91.88 -27.16 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.264 0.554 . . . . 0.0 109.668 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.757 ' HA ' ' HA3' ' A' ' 34' ' ' GLY . 25.5 ttpp -56.59 -24.28 46.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.099 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.31 0.04 43.8 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.681 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -135.33 19.03 3.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.805 0.336 . . . . 0.0 110.279 -176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.446 ' CE3' ' HA2' ' A' ' 34' ' ' GLY . 57.5 t-105 -49.15 -57.33 6.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.674 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -81.63 -6.4 58.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.204 0.526 . . . . 0.0 110.63 -174.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -98.45 -9.96 24.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD13 HG21 ' A' ' 6' ' ' ILE . 70.8 mt -109.13 -1.23 18.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.212 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.4 p -52.56 -45.12 66.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.411 -177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.23 -46.25 94.34 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.632 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -67.69 -37.97 83.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.92 0.39 . . . . 0.0 110.565 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 13' ' ' LEU . 79.5 mt -64.76 -44.97 96.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.427 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 86.3 tttt -57.97 -44.35 87.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.957 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -67.64 -28.43 67.72 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -72.37 -53.61 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.553 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -97.84 -17.17 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.042 -174.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.1 -54.03 4.45 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.012 -0.613 . . . . 0.0 114.442 170.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.71 -17.8 59.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.821 0.343 . . . . 0.0 111.532 -173.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.533 HD11 HD23 ' A' ' 29' ' ' LEU . 96.1 mt -69.53 121.21 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.947 177.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -88.11 169.54 11.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 0.0 111.077 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.477 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 6.5 m-20 -67.11 -29.04 68.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.35 -33.57 23.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.888 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.75 -27.84 66.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.449 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.533 HD23 HD11 ' A' ' 24' ' ' LEU . 98.0 mt -92.13 23.4 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.342 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 31.0 mm-40 -111.99 152.29 28.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 176.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 66.91 96.19 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.925 0.766 . . . . 0.0 112.322 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.21 175.07 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.438 ' HB2' ' HD2' ' A' ' 35' ' ' HIS . 2.7 m-20 -73.37 -50.77 20.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 171.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.757 ' HA3' ' HA ' ' A' ' 7' ' ' LYS . . . 121.33 -24.76 7.21 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.673 -177.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -57.26 140.96 48.34 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.674 0.273 . . . . 0.0 111.588 -177.119 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.04 -38.3 4.79 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -176.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.59 -25.58 64.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.665 0.269 . . . . 0.0 111.276 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -74.59 -34.33 62.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.1 mp -65.78 -38.03 87.92 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.893 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 57.7 t -56.86 -46.52 83.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.097 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.83 -46.32 94.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.01 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -60.3 -43.38 96.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.598 0.237 . . . . 0.0 111.4 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 96.0 mt -64.83 -32.59 74.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.628 0.251 . . . . 0.0 111.188 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.53 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 7.2 mm-40 -73.28 -37.47 66.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.787 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -74.86 -35.19 62.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.591 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -75.82 -55.22 5.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.693 -179.427 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.41 -69.56 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.278 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.67 82.55 1.63 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.997 -175.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -114.22 -177.02 3.03 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -58.4 138.03 56.84 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 167.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 4.5 ttpt -59.43 -40.27 86.23 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.276 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.17 -48.39 81.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.086 0.47 . . . . 0.0 109.911 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -59.25 -42.38 90.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.881 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.93 85.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 26.2 mt-10 -59.08 -49.03 79.43 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.835 177.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 16.5 mm-40 -60.05 -33.91 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.407 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -61.39 -40.52 94.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.656 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.425 HG13 HD21 ' A' ' 39' ' ' LEU . 25.0 t -77.39 -35.42 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.742 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 36.3 mmt180 -61.91 -43.71 98.29 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.485 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.63 -45.76 85.02 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.185 0.517 . . . . 0.0 110.685 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -62.18 -50.51 71.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.705 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m -66.0 -28.13 68.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.226 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.88 -31.92 71.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.23 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 69.3 ttt180 -94.99 22.3 6.72 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.37 0.605 . . . . 0.0 110.591 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.709 -0.662 . . . . 0.0 109.854 176.613 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.286 0.089 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.6 t30 68.96 25.39 6.01 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.511 0.672 . . . . 0.0 111.253 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 p -95.41 16.28 17.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.607 0.718 . . . . 0.0 109.522 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 10.1 m-20 -63.99 110.98 2.31 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.558 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.3 m -89.15 -10.39 10.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.222 0.535 . . . . 0.0 110.728 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.44 HG21 HD11 ' A' ' 13' ' ' LEU . 31.4 mt -87.73 -20.54 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.826 -176.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 63.4 pttt -60.91 -21.94 63.85 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.407 -172.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.02 -54.14 1.67 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.895 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 4.1 mptp? -95.65 24.79 5.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -172.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.585 ' CE3' ' HA3' ' A' ' 34' ' ' GLY . 51.4 t-105 -53.21 -41.63 65.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.069 177.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -60.68 -24.57 65.71 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.588 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.844 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -98.58 -25.64 14.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.99 0.424 . . . . 0.0 111.013 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.44 HD11 HG21 ' A' ' 6' ' ' ILE . 91.1 mt -84.99 6.3 25.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.482 -176.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.7 p -56.29 -47.92 77.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.042 0.449 . . . . 0.0 111.123 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.71 -35.27 89.52 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.004 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -64.34 -48.43 75.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.59 0.233 . . . . 0.0 111.058 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.472 HG22 ' CZ3' ' A' ' 21' ' ' TRP . 88.0 mt -60.74 -41.59 88.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -64.64 -41.02 96.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.046 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.54 -24.39 60.12 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.833 0.349 . . . . 0.0 111.379 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.508 ' NH2' ' HA ' ' A' ' 61' ' ' PHE . 11.0 mmt180 -69.46 -63.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.044 0.449 . . . . 0.0 110.783 175.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.472 ' CZ3' HG22 ' A' ' 17' ' ' ILE . 16.4 m-90 -93.13 -66.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.486 -175.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.14 -46.06 1.17 Allowed Glycine 0 C--N 1.313 -0.718 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.909 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.08 -25.76 63.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.88 0.371 . . . . 0.0 111.475 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.21 104.96 9.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.382 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.522 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 70.4 p -72.56 159.66 33.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.941 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.19 -8.92 57.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.942 0.401 . . . . 0.0 110.346 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -80.51 -32.13 37.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.894 171.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.95 -26.59 63.24 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.329 0.585 . . . . 0.0 109.448 172.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 25' ' ' THR . 58.7 mt -95.23 18.49 12.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.723 -176.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -118.51 92.89 3.93 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.07 -151.37 0.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.862 -172.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 -155.63 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.969 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -62.66 121.69 13.99 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 111.09 -175.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.585 ' HA3' ' CE3' ' A' ' 10' ' ' TRP . . . -81.36 67.96 3.54 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.968 -178.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.619 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 5.9 p80 -92.0 166.57 12.62 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.68 79.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -172.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.619 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 74.4 mm-40 -60.25 -25.35 65.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.645 0.259 . . . . 0.0 111.435 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -76.16 -38.61 56.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.1 -42.51 99.29 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.363 175.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.01 -39.74 50.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.282 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.81 -49.86 65.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.435 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -66.92 -34.78 78.52 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.724 -0.28 . . . . 0.0 111.61 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 47' ' ' TYR . 84.8 mt -71.83 -30.19 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.906 0.384 . . . . 0.0 110.462 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -75.3 -29.79 60.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.35 0.595 . . . . 0.0 110.121 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -78.0 -54.32 6.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.501 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -81.8 -30.48 32.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.748 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 80.8 m-85 -111.41 -54.85 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 111.467 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.55 37.85 4.13 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.897 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -82.87 163.53 21.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.814 0.34 . . . . 0.0 111.253 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.7 m -65.87 156.82 32.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.606 173.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -60.7 -46.12 91.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.879 0.371 . . . . 0.0 110.051 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -65.45 -39.02 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.931 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -57.31 -49.73 75.17 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.529 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.48 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.33 -40.94 98.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.779 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.88 -46.53 71.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.514 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.75 -30.78 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.437 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -71.91 -41.41 67.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.865 0.364 . . . . 0.0 110.315 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 54' ' ' ALA . 91.2 t -63.93 -39.04 84.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.026 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -61.9 -51.14 69.37 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.328 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.87 -37.07 75.69 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.031 0.443 . . . . 0.0 110.815 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.508 ' HA ' ' NH2' ' A' ' 20' ' ' ARG . 46.5 t80 -63.11 -48.62 77.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.413 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 p -87.1 -17.05 33.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.825 0.345 . . . . 0.0 111.833 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.01 -40.16 28.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.078 0.466 . . . . 0.0 109.898 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HB3' HH22 ' A' ' 20' ' ' ARG . 33.1 ttt180 -96.74 67.1 2.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.916 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.44 -0.79 . . . . 0.0 109.477 174.196 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.113 0.483 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -134.59 -156.79 0.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 m -60.59 -29.37 69.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.904 0.383 . . . . 0.0 110.986 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -80.86 83.48 6.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.967 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -78.71 -10.5 12.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.385 0.612 . . . . 0.0 109.552 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -92.02 3.6 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.634 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 34' ' ' GLY . 82.7 tttt -72.03 -26.73 62.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.758 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.99 157.84 15.11 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp 65.34 28.09 11.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.697 0.284 . . . . 0.0 110.745 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.536 ' O ' HG23 ' A' ' 14' ' ' THR . 50.4 t-105 -50.42 -41.52 52.54 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.758 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -71.11 -29.88 65.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.523 0.202 . . . . 0.0 111.365 -176.566 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -80.74 -39.33 27.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.01 0.434 . . . . 0.0 110.85 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 17' ' ' ILE . 98.9 mt -71.61 -15.06 62.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.606 -175.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 10' ' ' TRP . 44.2 p -49.2 -49.63 41.87 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 123.452 0.47 . . . . 0.0 111.341 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.585 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -55.74 -43.97 86.71 Favored Glycine 0 C--O 1.226 -0.39 0 CA-C-N 115.819 -0.628 . . . . 0.0 113.029 -178.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.68 -31.65 59.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.572 0.225 . . . . 0.0 111.439 -175.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 13' ' ' LEU . 62.1 mt -66.33 -41.85 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 173.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -65.54 -32.3 73.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.475 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 44.0 mt-10 -70.37 -43.11 70.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.711 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.679 ' NH1' ' HA ' ' A' ' 61' ' ' PHE . 12.3 ttm180 -71.15 -57.77 4.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.042 -171.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -87.79 -44.68 10.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 111.248 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.29 -37.9 3.28 Favored Glycine 0 C--N 1.317 -0.527 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.721 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.79 -38.38 79.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.283 0.541 . . . . 0.0 111.19 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.482 HD23 ' HG3' ' A' ' 46' ' ' ARG . 90.1 mt -57.97 119.05 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.5 p -87.84 -178.23 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.29 -30.57 71.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.998 0.427 . . . . 0.0 110.072 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.74 -36.27 83.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.1 178.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.524 ' HA ' ' HE2' ' A' ' 42' ' ' LYS . 17.5 m-20 -77.31 -27.28 52.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 -177.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.8 mt -96.71 16.13 19.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.098 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -128.69 163.32 25.37 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.89 67.68 0.6 Allowed 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.626 0.579 . . . . 0.0 111.446 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.27 160.14 42.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.544 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -27.46 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.214 175.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.634 ' O ' ' HA ' ' A' ' 7' ' ' LYS . . . 85.97 92.14 0.87 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.09 -173.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.32 156.78 0.77 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.27 76.77 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.499 0.499 . . . . 0.0 111.378 -173.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -56.06 -32.91 64.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.281 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -71.35 -40.36 70.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.374 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.555 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.0 mp -63.87 -39.51 94.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.89 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.479 HG11 ' HB1' ' A' ' 54' ' ' ALA . 85.9 t -54.96 -49.86 67.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.384 176.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.76 -44.2 98.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.307 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 26.6 mmtm -66.58 -34.37 77.74 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 122.798 -0.236 . . . . 0.0 111.588 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 85.5 mt -70.33 -37.03 74.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.618 0.247 . . . . 0.0 110.854 178.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 23.1 mt-30 -72.15 -30.5 65.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -73.63 -54.77 7.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HG3' HD23 ' A' ' 24' ' ' LEU . 24.1 mmt180 -71.39 -59.91 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.905 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -81.86 -52.69 6.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.02 0.438 . . . . 0.0 111.165 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.33 46.59 2.34 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.479 -175.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -89.56 177.63 6.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.93 0.395 . . . . 0.0 110.377 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.2 t -90.51 156.84 17.89 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -57.41 -48.15 79.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -171.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -25.17 54.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.87 -172.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -67.6 -47.77 68.75 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 173.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.479 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -59.64 -44.93 93.34 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.267 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.15 -43.47 78.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -61.48 -44.83 96.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.63 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.17 -34.66 71.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.545 0.212 . . . . 0.0 111.27 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 54' ' ' ALA . 98.9 t -69.97 -37.07 71.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.234 0.54 . . . . 0.0 110.026 175.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -63.09 -39.84 95.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.762 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.49 -39.47 93.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.391 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.679 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 93.2 t80 -59.2 -39.73 83.54 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.943 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -69.16 -35.14 76.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.971 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -64.52 -52.1 59.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 110.248 176.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.579 ' HB2' HH12 ' A' ' 20' ' ' ARG . 50.9 mtt180 -85.29 61.47 6.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.001 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 32.1 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.655 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 121.007 0.432 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -75.65 143.11 42.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.177 -175.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.8 p 61.46 174.77 0.12 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.501 1.12 . . . . 0.0 112.246 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.513 ' OD2' ' HA ' ' A' ' 35' ' ' HIS . 12.4 t70 -110.15 149.98 29.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.716 -177.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.3 m -76.43 -35.46 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.238 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.1 mt -75.53 -36.38 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.343 0.592 . . . . 0.0 110.069 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.694 ' HA ' ' HA3' ' A' ' 34' ' ' GLY . 85.4 tttt -61.58 -28.19 69.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.838 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.84 -39.77 5.43 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.835 -178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -105.27 28.32 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.806 0.303 . . . . 0.0 111.264 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -51.64 -50.25 60.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -175.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 36.9 ttmt -76.46 -12.56 60.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.102 0.477 . . . . 0.0 110.973 -175.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -92.6 -39.26 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.213 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' O ' HG13 ' A' ' 17' ' ' ILE . 94.7 mt -77.9 -2.76 38.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.086 -174.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -51.44 -42.21 61.37 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.39 -44.01 85.82 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.251 -0.5 . . . . 0.0 112.911 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -68.56 -34.81 76.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.822 -0.222 . . . . 0.0 111.443 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 13' ' ' LEU . 72.1 mt -64.31 -43.99 97.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.216 0.532 . . . . 0.0 109.9 176.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.487 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 52.8 tptt -59.87 -30.39 68.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.006 175.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -79.01 -49.37 12.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.268 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.642 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.4 mmp_? -61.59 -58.81 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -175.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.483 ' CE3' HG21 ' A' ' 17' ' ' ILE . 6.9 m0 -100.54 -23.94 14.58 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.942 -173.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 18' ' ' LYS . . . 83.45 -67.35 3.75 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.812 -0.708 . . . . 0.0 114.795 167.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' HB3' ' HH ' ' A' ' 47' ' ' TYR . 27.4 t70 -68.57 -20.67 64.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -169.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -58.96 129.1 40.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.933 0.397 . . . . 0.0 110.826 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.479 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 11.2 t -94.98 174.95 6.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.681 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -70.75 -14.16 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.756 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -71.39 -45.45 62.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.477 ' OD2' HG23 ' A' ' 25' ' ' THR . 34.5 m-20 -65.8 -34.25 77.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.696 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 25' ' ' THR . 41.3 mt -91.43 7.73 39.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.943 -174.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -152.15 72.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.977 0.418 . . . . 0.0 110.116 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 177.27 47.53 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.683 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . . . -150.25 168.37 24.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -171.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.575 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -104.38 17.53 23.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.988 172.516 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.694 ' HA3' ' HA ' ' A' ' 7' ' ' LYS . . . 75.0 -144.67 32.56 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.483 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.685 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 19.8 p80 53.45 156.05 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.37 1.468 . . . . 0.0 113.897 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.479 ' O ' HG21 ' A' ' 40' ' ' VAL . . . -58.67 -41.07 85.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.374 -172.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.685 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 10.7 mp0 -52.4 -36.45 54.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.656 -176.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.448 ' CE1' ' HB3' ' A' ' 32' ' ' ALA . 49.8 t80 -73.68 -42.82 60.79 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.241 -178.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 60.6 mt -60.03 -43.92 94.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.623 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 36' ' ' ALA . 67.2 t -51.65 -47.23 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.453 0.471 . . . . 0.0 110.376 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.21 -47.59 90.22 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.271 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 57.8 mmtt -64.83 -37.29 87.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 59.3 mt -70.27 -28.08 64.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 14.4 mm100 -83.09 -36.57 24.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.111 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.31 -53.87 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.861 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -78.68 -52.04 8.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.372 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.452 ' HH ' ' HB3' ' A' ' 23' ' ' ASP . 59.2 m-85 -98.21 -69.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.974 0.416 . . . . 0.0 111.284 -173.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.6 64.5 0.7 Allowed Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.953 -176.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.508 ' HB3' ' HD2' ' A' ' 53' ' ' ARG . 12.6 m0 -95.5 -168.61 1.81 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.5 t -73.33 144.2 46.62 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 165.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -58.88 -36.99 75.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.88 0.371 . . . . 0.0 110.235 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.35 -40.78 97.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.115 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.508 ' HD2' ' HB3' ' A' ' 49' ' ' TRP . 27.9 ttm180 -65.58 -43.57 89.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.427 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.84 -48.32 82.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.48 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.9 -45.14 95.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.984 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 13.3 mm-40 -61.84 -33.41 74.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.606 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 33.0 mm-40 -65.59 -40.31 92.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.881 0.372 . . . . 0.0 110.374 175.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.479 HG13 ' HA ' ' A' ' 36' ' ' ALA . 48.2 t -65.08 -42.2 93.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.237 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -65.1 -41.3 95.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.734 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.97 -45.43 92.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.345 175.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.582 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 51.8 t80 -62.34 -49.66 74.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.809 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 m -62.87 -40.13 96.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.62 -178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.49 -27.64 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.506 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -88.37 10.85 18.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.11 0.481 . . . . 0.0 110.58 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 98.7 mt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.436 -0.793 . . . . 0.0 109.84 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mtt . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.83 0.347 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.79 22.35 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.367 0.604 . . . . 0.0 110.048 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 p -104.12 9.66 36.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.53 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -123.59 147.76 47.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.434 -176.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -114.64 -23.11 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.004 0.431 . . . . 0.0 111.01 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.1 mm -75.75 -45.5 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.407 -175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.93 -24.99 67.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.965 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.74 -40.63 95.19 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.784 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -131.46 35.75 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.807 -0.231 . . . . 0.0 110.451 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.669 ' CZ2' ' HB1' ' A' ' 32' ' ' ALA . 68.1 t-105 -48.9 -42.37 36.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -175.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -70.98 -29.27 65.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.869 0.366 . . . . 0.0 110.705 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -90.65 -37.12 13.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.151 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.48 -8.44 26.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.443 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.51 HG22 ' HB3' ' A' ' 29' ' ' LEU . 27.5 p -48.2 -45.35 33.8 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.433 0.458 . . . . 0.0 111.407 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -70.5 -30.66 68.71 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.974 -178.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -81.79 -39.41 24.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.155 0.478 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.402 HG21 ' CZ3' ' A' ' 21' ' ' TRP . 80.8 mt -65.72 -44.14 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.093 0.473 . . . . 0.0 110.311 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -69.05 -28.41 66.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.545 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 3.8 tp10 -72.21 -36.63 69.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.111 0.481 . . . . 0.0 110.111 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -62.31 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.601 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.402 ' CZ3' HG21 ' A' ' 17' ' ' ILE . 24.1 m-90 -88.95 -52.11 5.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.963 0.411 . . . . 0.0 111.996 -174.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.86 -47.42 1.07 Allowed Glycine 0 C--N 1.313 -0.721 0 C-N-CA 120.875 -0.679 . . . . 0.0 113.165 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.44 -11.51 60.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 111.641 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.3 mt -83.61 98.08 9.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 174.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 t -76.9 160.35 29.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.666 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -60.91 -26.59 67.57 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.702 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.02 -48.09 82.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.023 0.44 . . . . 0.0 110.763 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.26 -41.42 81.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.799 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' HB3' HG22 ' A' ' 14' ' ' THR . 63.8 mt -77.76 -16.61 58.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.813 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.95 -22.49 20.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.054 0.454 . . . . 0.0 110.578 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.32 -38.93 11.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -173.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.669 ' HB1' ' CZ2' ' A' ' 10' ' ' TRP . . . -68.4 170.9 8.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -170.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.88 -69.12 0.31 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.977 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.618 ' HA2' ' CD2' ' A' ' 10' ' ' TRP . . . 146.09 -38.52 1.18 Allowed Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.248 -0.977 . . . . 0.0 113.446 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 4.6 p80 -57.93 142.69 45.43 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 117.176 0.488 . . . . 0.0 111.105 -175.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' O ' HG21 ' A' ' 40' ' ' VAL . . . -48.75 -42.18 34.55 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 3.5 mp0 -56.7 -29.83 62.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.627 0.251 . . . . 0.0 111.616 -176.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -82.43 -32.52 28.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.022 0.439 . . . . 0.0 109.845 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.8 tp -66.96 -37.43 84.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.711 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.437 HG13 ' HB2' ' A' ' 54' ' ' ALA . 79.5 t -55.72 -44.78 78.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.241 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.516 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -62.35 -36.93 93.78 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.326 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -64.26 -41.73 96.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.639 0.257 . . . . 0.0 110.977 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.38 -39.9 95.78 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.911 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.27 -29.01 68.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.968 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 13.0 mm-40 -78.85 -35.57 43.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.679 0.276 . . . . 0.0 111.033 177.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.3 mmp_? -72.84 -57.76 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.398 . . . . 0.0 111.716 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -104.1 -18.7 14.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.06 -171.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.76 40.07 23.02 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.056 -1.068 . . . . 0.0 111.768 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.515 ' CZ3' ' HG2' ' A' ' 57' ' ' GLU . 50.9 m0 -83.01 158.74 22.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.853 0.358 . . . . 0.0 110.424 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.1 t -73.16 156.11 38.95 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -63.11 -39.48 94.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.492 0.187 . . . . 0.0 111.236 -175.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.73 -42.09 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.956 0.408 . . . . 0.0 110.725 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -67.41 -45.39 76.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.409 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.92 -37.86 88.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -58.52 -58.15 9.83 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.694 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.68 -31.7 71.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.617 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.515 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 3.8 tp10 -68.39 -41.04 81.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.781 0.324 . . . . 0.0 110.566 -178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 54' ' ' ALA . 93.9 t -64.3 -38.84 83.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.158 175.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.608 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 17.9 mtp180 -65.98 -40.07 90.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.688 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.7 t70 -54.22 -42.07 69.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 110.232 176.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -69.21 -46.29 67.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.283 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.8 m -70.3 -27.7 64.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.047 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.45 1.02 50.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 111.01 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 50.7 mtt-85 -110.95 11.34 22.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.298 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.346 179.466 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -46.97 128.92 11.67 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 123.32 0.387 . . . . 0.0 111.167 176.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.423 ' HB3' ' OG ' ' A' ' 62' ' ' SER . 2.9 m -57.56 106.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.647 177.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.652 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 5.4 p-10 -132.54 10.23 4.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.913 0.387 . . . . 0.0 111.272 -174.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.33 -18.24 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -69.62 -27.11 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.743 -175.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.652 ' HE2' ' HB2' ' A' ' 4' ' ' ASP . 50.6 mtmt -58.78 -46.54 87.28 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.46 7.5 63.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.159 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.537 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 89.7 mttt -130.17 16.24 5.61 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.64 -0.329 . . . . 0.0 110.999 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.452 ' HE1' ' HA ' ' A' ' 31' ' ' ALA . 61.0 t-105 -44.38 -61.1 1.64 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -173.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.701 ' HD2' ' HG2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -73.69 -4.35 33.86 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -173.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.794 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -98.4 -13.16 20.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.975 0.417 . . . . 0.0 109.886 176.464 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 87.7 mt -106.2 -17.13 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.997 -173.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.1 p -49.63 -39.76 36.95 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.12 -41.41 98.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.849 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -84.77 -27.41 26.9 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 13' ' ' LEU . 63.4 mt -60.45 -46.84 94.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.765 174.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HB2' HD11 ' A' ' 29' ' ' LEU . 84.2 tttt -66.31 -31.28 71.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -80.4 -24.37 39.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.855 0.36 . . . . 0.0 110.532 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -69.41 -57.71 4.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.062 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -95.9 -18.07 20.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.755 -175.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.4 -70.45 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.408 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 33.2 t70 -85.23 64.98 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.743 0.782 . . . . 0.0 110.577 -173.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.3 mt -121.72 118.37 28.93 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.364 174.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.0 m -74.69 153.78 38.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.469 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -58.41 -30.08 66.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.705 0.288 . . . . 0.0 110.697 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.97 -41.45 82.96 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.099 0.476 . . . . 0.0 110.997 172.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.719 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 65.6 m-20 -73.72 -19.46 60.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.901 -178.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' A' ' 18' ' ' LYS . 43.2 mt -102.77 2.68 35.94 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.478 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -62.9 112.13 2.44 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.157 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . . . -72.46 99.66 2.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.408 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.64 -77.7 0.59 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.179 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.44 111.68 24.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.362 0.601 . . . . 0.0 109.573 172.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.16 107.57 3.09 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.791 -0.64 . . . . 0.0 113.611 -172.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -166.64 159.54 14.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.39 73.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 0.0 111.761 -173.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 37' ' ' GLU . 1.9 mp0 -60.72 -30.61 70.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.674 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -68.0 -39.43 83.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 49.8 tp -61.28 -52.12 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.032 174.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.04 -48.52 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.974 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.11 -38.05 92.52 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.933 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 15.4 mttm -85.06 -18.47 34.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.459 -0.436 . . . . 0.0 111.809 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 83.9 mt -67.32 -30.51 70.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 170.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.47 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 22.5 mt-30 -81.88 -25.72 34.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.872 174.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.24 -58.89 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.492 176.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 24.4 tpt180 -75.16 -53.6 8.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.422 -175.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -91.75 -65.39 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.038 0.447 . . . . 0.0 110.92 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 105.72 47.65 1.09 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.549 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -83.13 170.41 14.8 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 152.28 41.98 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 62.8 tttm -52.1 -48.65 64.64 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.196 0.31 . . . . 0.0 111.614 -175.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 1.4 pm0 -69.47 -28.06 65.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.298 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -77.09 -35.91 56.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.474 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -66.35 -42.81 87.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.854 175.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.409 ' OE2' ' HG2' ' A' ' 51' ' ' LYS . 48.1 mt-10 -57.39 -41.47 80.33 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.621 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.68 -49.05 79.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.342 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -58.54 -45.09 89.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.295 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 54' ' ' ALA . 83.0 t -58.13 -46.86 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.092 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -67.12 -39.5 86.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.845 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -64.77 -45.56 85.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.741 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -65.16 -39.27 92.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.455 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.423 ' OG ' ' HB3' ' A' ' 3' ' ' SER . 28.5 t -63.13 -20.17 65.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -175.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -83.29 -40.45 19.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.052 0.454 . . . . 0.0 110.161 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -74.7 -9.6 58.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.699 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--O 1.245 0.852 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.962 176.205 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -129.8 129.94 44.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.104 0.478 . . . . 0.0 111.302 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -149.59 98.07 2.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.631 175.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 3.7 p30 -145.75 21.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.21 0.528 . . . . 0.0 110.371 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 p -53.45 -27.04 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.921 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mm -57.29 -45.68 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.688 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 63.9 pttt -71.32 -28.32 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.341 -174.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.51 46.22 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.365 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . 60.5 mmtt -101.87 16.61 25.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.49 ' CZ2' ' HB2' ' A' ' 32' ' ' ALA . 75.8 t-105 -48.85 -50.39 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -170.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.02 -17.78 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.956 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -98.54 -31.01 12.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.033 0.444 . . . . 0.0 110.26 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' HG ' ' HB2' ' A' ' 9' ' ' LYS . 64.9 mt -77.28 -16.33 59.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.735 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 29' ' ' LEU . 3.9 p -55.75 -36.63 67.51 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.14 -27.35 68.55 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.568 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -86.26 -30.09 22.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 13' ' ' LEU . 85.3 mt -64.69 -42.56 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 173.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 57.6 tttm -70.1 -19.97 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.236 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -75.86 -42.86 48.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.833 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -45.28 52.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.854 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.949 ' HB3' ' HH ' ' A' ' 47' ' ' TYR . 5.1 m-90 -120.14 102.71 8.7 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.16 -5.24 89.75 Favored Glycine 0 N--CA 1.452 -0.246 0 N-CA-C 114.811 0.684 . . . . 0.0 114.811 -168.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -92.88 -11.08 34.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.894 0.847 . . . . 0.0 110.717 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 81.3 mt -82.04 117.65 22.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.968 176.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.0 p -84.03 166.38 17.79 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.208 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 p30 -67.19 -24.89 65.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.205 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.3 -33.89 70.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.665 0.269 . . . . 0.0 110.907 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -70.39 -30.34 67.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.109 0.48 . . . . 0.0 110.335 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.521 ' HB3' HG22 ' A' ' 14' ' ' THR . 66.0 mt -95.75 -48.7 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.608 -175.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' HG2' HG23 ' A' ' 14' ' ' THR . 93.7 mt-30 -78.84 59.64 2.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.05 0.452 . . . . 0.0 110.181 -177.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.72 22.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.606 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.49 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . . . -132.37 171.85 13.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -168.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.29 -56.04 17.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.495 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.27 -27.64 6.03 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.192 -1.004 . . . . 0.0 114.019 174.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 19.3 p-80 -68.19 158.65 32.77 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 117.868 0.834 . . . . 0.0 111.325 -174.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.56 -44.29 56.61 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -166.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 34.0 mm-40 -60.06 -26.89 66.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -74.42 -31.87 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.589 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.5 mp -62.12 -44.67 96.13 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 174.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 46.5 t -56.09 -44.25 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.275 177.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.84 -47.98 88.54 Favored Glycine 0 C--O 1.227 -0.333 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.053 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -60.64 -35.77 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 95.5 mt -68.84 -28.71 66.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.874 0.369 . . . . 0.0 110.646 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 8.1 mm-40 -79.6 -46.23 17.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.137 0.494 . . . . 0.0 110.044 175.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.29 -48.33 82.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.44 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -81.32 -46.36 14.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.238 -174.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.949 ' HH ' ' HB3' ' A' ' 21' ' ' TRP . 89.1 m-85 -102.88 -76.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.867 0.365 . . . . 0.0 110.998 -176.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.8 73.45 0.53 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.724 -175.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -114.91 -168.69 1.42 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -87.67 155.15 20.07 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 169.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HG3' HG11 ' A' ' 40' ' ' VAL . 55.9 tttm -67.02 -31.8 72.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -55.02 -53.94 49.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.0 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 53' ' ' ARG . 15.5 ttm-85 -67.25 -45.5 76.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.495 -177.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.25 -46.18 83.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.216 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 38.0 mt-10 -67.46 -37.73 83.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.618 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.743 ' HA ' HE21 ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.3 -43.48 88.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.686 0.279 . . . . 0.0 110.527 174.663 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.69 84.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.754 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 54' ' ' ALA . 99.1 t -66.05 -41.11 89.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.443 175.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 31.9 mmt180 -58.37 -44.04 88.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.822 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.77 -42.24 88.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.224 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.533 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 52.6 t80 -64.62 -50.99 64.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.88 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.2 m -62.54 -31.27 72.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.959 0.409 . . . . 0.0 110.802 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.75 -43.43 93.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.005 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.51 17.72 3.09 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 76.3 mt . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.328 -0.844 . . . . 0.0 109.847 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.7 mtm . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 63.24 86.4 0.12 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.173 0.511 . . . . 0.0 110.318 -178.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -96.26 -9.99 29.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.838 -176.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -103.31 141.2 36.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.767 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.8 m -125.1 5.02 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.679 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.5 mt -90.36 -26.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.973 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -55.15 -31.57 61.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.356 174.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.55 138.75 14.58 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.406 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.614 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 98.5 mttt 65.09 20.63 12.08 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 122.788 0.435 . . . . 0.0 110.692 -175.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.48 ' CD2' ' HA3' ' A' ' 34' ' ' GLY . 67.4 t-105 -56.76 -41.65 77.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.656 -177.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -8.24 55.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 111.476 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -98.82 -35.88 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.109 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 79.9 mt -76.31 -9.12 58.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.654 -175.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.0 p -53.23 -38.35 62.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.468 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.17 -42.67 99.73 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.137 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -64.15 -42.92 96.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 0.0 110.626 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 13' ' ' LEU . 63.9 mt -65.52 -50.61 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.212 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -64.34 -24.91 67.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.023 0.44 . . . . 0.0 110.507 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.42 -36.62 71.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -82.74 -57.42 3.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.95 0.405 . . . . 0.0 110.465 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -107.46 99.34 8.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.16 -177.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.02 -14.65 71.07 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.416 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 27.2 t70 -83.27 -22.4 33.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.288 0.544 . . . . 0.0 110.387 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.437 HD21 ' HG2' ' A' ' 46' ' ' ARG . 43.5 mt -76.42 107.76 8.91 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.147 0.499 . . . . 0.0 109.782 175.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.4 p -78.78 158.47 28.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.849 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -73.28 -12.64 60.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.88 -42.51 81.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.847 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -65.15 -39.76 93.45 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.004 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.1 mt -74.87 -43.05 56.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.047 -176.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -77.55 -4.78 47.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.24 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.58 -62.89 1.27 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -175.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.28 -84.32 0.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -135.17 148.35 49.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.051 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.48 ' HA3' ' CD2' ' A' ' 10' ' ' TRP . . . -120.18 145.01 17.54 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.684 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 8.0 p80 -175.32 166.84 3.38 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.21 -55.8 2.56 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.791 0.682 . . . . 0.0 112.8 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.546 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 20.4 mp0 -60.5 -31.32 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.779 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -75.42 -37.49 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.605 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 8.7 mp -59.26 -51.13 71.28 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.5 t -53.65 -45.64 60.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.675 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.16 -52.72 50.8 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.596 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -67.44 -30.08 69.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 74.1 mt -66.43 -37.17 84.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.56 0.219 . . . . 0.0 110.48 176.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -76.69 -29.96 56.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.69 -56.47 5.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.269 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.437 ' HG2' HD21 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -71.4 -57.43 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.343 -176.595 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 68.2 m-85 -90.24 -60.18 2.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.975 0.417 . . . . 0.0 111.043 -177.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.22 49.8 1.67 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.894 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.475 ' HB3' ' HD2' ' A' ' 53' ' ' ARG . 8.8 m0 -86.52 177.43 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -71.73 149.77 45.1 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 88.0 tttt -56.86 -43.7 81.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.557 0.218 . . . . 0.0 110.903 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.82 -47.27 83.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.53 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HD2' ' HB3' ' A' ' 49' ' ' TRP . 18.0 ttm180 -61.25 -41.48 96.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.185 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.523 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -61.13 -47.33 86.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.768 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 44.5 mt-10 -55.73 -45.44 77.97 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.799 177.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.585 HE21 ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.94 -46.42 88.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.619 178.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.8 -38.51 91.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.375 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 54' ' ' ALA . 75.0 t -62.29 -48.02 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 0.0 110.802 177.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -65.85 -40.08 91.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.522 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.65 -35.07 75.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.498 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CE2' HD23 ' A' ' 65' ' ' LEU . 87.1 t80 -75.77 -43.21 47.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.755 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.522 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 23.2 t -60.0 -30.5 69.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.032 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -61.86 -31.66 71.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.079 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.1 mpt_? -99.45 18.28 18.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -176.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.522 ' HG ' ' HA ' ' A' ' 62' ' ' SER . 82.1 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.438 -0.792 . . . . 0.0 109.439 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -137.4 -73.59 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.192 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -103.02 5.53 38.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.323 0.582 . . . . 0.0 110.224 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.61 -31.84 71.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.496 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.644 HG22 HG13 ' A' ' 6' ' ' ILE . 15.5 m -59.81 -41.81 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -175.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.644 HG13 HG22 ' A' ' 5' ' ' VAL . 14.6 mt -89.85 -33.47 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.978 0.418 . . . . 0.0 110.86 -175.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -79.54 -41.59 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.287 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.29 -29.03 60.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.223 -175.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -120.47 31.93 6.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.318 0.58 . . . . 0.0 110.561 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -50.78 -48.53 59.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.03 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -68.3 -25.54 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.917 0.389 . . . . 0.0 111.068 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -83.16 -29.13 28.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.047 0.451 . . . . 0.0 110.532 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 17' ' ' ILE . 87.8 mt -84.42 -5.95 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.798 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 29' ' ' LEU . 18.0 p -47.02 -54.85 9.3 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -176.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.43 -42.8 99.85 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.252 -0.499 . . . . 0.0 112.92 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -66.7 -39.42 88.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.784 0.326 . . . . 0.0 111.224 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.472 HG22 ' CE3' ' A' ' 21' ' ' TRP . 84.9 mt -65.58 -46.58 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.813 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 48.0 tttm -69.78 -19.55 63.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.079 0.466 . . . . 0.0 110.606 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -78.07 -25.93 47.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.271 0.558 . . . . 0.0 109.979 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -85.2 -52.51 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.472 ' CE3' HG22 ' A' ' 17' ' ' ILE . 3.1 m-90 -112.24 94.53 4.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.363 178.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.05 -24.65 75.81 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.555 -0.748 . . . . 0.0 113.773 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.494 ' OD2' ' HG3' ' A' ' 46' ' ' ARG . 38.3 t70 -72.43 -27.67 62.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.972 0.386 . . . . 0.0 111.182 -175.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.663 HD11 HD22 ' A' ' 29' ' ' LEU . 95.3 mt -64.54 120.2 11.9 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 175.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 p -79.41 169.0 18.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.168 0.509 . . . . 0.0 111.726 -174.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -69.41 -11.52 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.043 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -85.85 -50.23 7.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.926 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -57.42 -42.71 82.88 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.667 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.663 HD22 HD11 ' A' ' 24' ' ' LEU . 86.8 mt -85.67 14.05 6.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.756 -175.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -141.23 18.03 2.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.242 0.544 . . . . 0.0 110.279 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.9 -85.51 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.777 -176.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.14 -95.96 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -145.19 -171.55 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.79 37.06 2.69 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.271 -0.966 . . . . 0.0 114.096 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 19.7 p-80 -77.54 147.15 35.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -40.64 26.33 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -168.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.56 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 57.9 mm-40 -57.78 -34.27 69.41 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -71.76 -41.74 68.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.413 -177.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 44.2 mt -59.16 -53.35 59.3 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.265 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.445 HG11 ' HB2' ' A' ' 54' ' ' ALA . 90.3 t -52.81 -45.85 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.572 0.545 . . . . 0.0 110.828 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.45 -48.74 83.25 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.414 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -67.53 -30.87 70.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.576 0.226 . . . . 0.0 111.594 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 77.9 mt -70.86 -39.33 72.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.695 0.283 . . . . 0.0 110.734 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.47 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 24.7 mt-30 -72.76 -26.37 61.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.02 0.438 . . . . 0.0 110.193 175.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.98 -55.91 4.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.981 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.502 ' HG2' HD22 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -72.32 -57.45 4.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.204 -174.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -84.22 -52.03 6.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.916 0.389 . . . . 0.0 110.951 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 103.07 38.7 2.82 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.887 -178.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 53' ' ' ARG . 46.1 m0 -83.3 169.85 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.728 0.299 . . . . 0.0 110.316 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.8 p -81.75 165.59 20.8 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -59.99 -43.31 95.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.261 -176.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 1.3 mp0 -64.6 -42.52 95.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.601 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HD2' ' CG ' ' A' ' 49' ' ' TRP . 56.7 ttm-85 -65.2 -39.66 93.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.41 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' HB2' HG11 ' A' ' 40' ' ' VAL . . . -64.48 -44.62 90.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.189 177.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -54.84 -45.04 74.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.014 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -58.97 -51.55 69.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.783 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -62.17 -47.63 83.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.26 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.49 -44.34 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.144 0.497 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttm105 -68.82 -39.62 79.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.189 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 34.2 t70 -70.67 -28.49 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.804 178.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -73.03 -43.77 61.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.361 . . . . 0.0 110.065 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 t -64.65 -20.89 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.532 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 60' ' ' ASP . 11.6 t70 -64.24 -28.7 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.466 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -102.38 9.32 39.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.118 0.485 . . . . 0.0 111.134 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.166 -178.12 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.234 0.262 0 CA-C-O 121.176 0.512 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -74.22 -43.5 50.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.187 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -63.88 -26.56 68.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.59 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.3 -51.76 9.54 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.363 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 73.5 mmtt -100.52 29.19 4.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.527 0.203 . . . . 0.0 110.621 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.626 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 62.3 t-105 -55.59 -56.31 21.84 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -170.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -70.51 -6.93 39.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.198 0.523 . . . . 0.0 111.019 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.51 -39.2 9.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.637 175.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 93.7 mt -76.78 -16.86 59.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.663 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 10' ' ' TRP . 8.3 p -47.63 -50.23 25.03 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.363 0.415 . . . . 0.0 111.789 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.76 -36.68 93.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.548 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -73.88 -30.1 62.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.921 0.391 . . . . 0.0 110.641 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 13' ' ' LEU . 79.4 mt -72.03 -41.74 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.288 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.775 ' HD2' ' HB2' ' A' ' 26' ' ' ASP . 85.8 tttt -63.12 -31.93 73.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.368 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.45 -43.07 61.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.118 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -65.17 -47.27 77.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.355 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -120.76 100.73 7.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.981 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.68 -25.85 71.81 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.981 -0.554 . . . . 0.0 113.442 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.522 ' OD2' ' HB3' ' A' ' 46' ' ' ARG . 33.8 t70 -72.39 -20.34 61.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 111.343 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 mt -78.1 126.93 31.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.247 0.546 . . . . 0.0 110.82 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.433 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 5.7 m -79.81 127.37 32.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.679 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.775 ' HB2' ' HD2' ' A' ' 18' ' ' LYS . 19.1 t70 -56.7 -43.7 80.78 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.963 0.411 . . . . 0.0 110.924 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.95 -36.35 72.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.148 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.78 -36.76 67.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 25' ' ' THR . 72.5 mt -68.96 -47.55 65.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.957 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -75.51 46.47 0.35 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.27 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.83 -91.21 0.32 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.96 -79.64 0.33 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.478 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 4.6 m-20 -51.78 -48.61 63.71 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -168.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.626 ' HA2' ' CE2' ' A' ' 10' ' ' TRP . . . 77.85 -59.58 3.83 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.814 -0.708 . . . . 0.0 114.547 172.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.468 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 24.1 p-80 -50.58 165.11 0.11 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -174.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.58 ' HA ' HD13 ' A' ' 39' ' ' LEU . . . -44.98 -43.03 8.76 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -170.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 11.5 mm-40 -61.5 -20.25 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CD1' ' HB2' ' A' ' 33' ' ' ASP . 43.7 t80 -81.34 -32.93 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.58 HD13 ' HA ' ' A' ' 36' ' ' ALA . 7.4 mp -61.33 -47.31 86.48 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.556 HG11 ' HG3' ' A' ' 51' ' ' LYS . 90.1 t -55.66 -44.97 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.365 177.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.15 -44.83 96.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.59 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -72.75 -32.73 65.87 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.743 -0.269 . . . . 0.0 111.458 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 92.9 mt -65.48 -34.2 77.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 110.099 175.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 14.5 mm100 -74.2 -40.12 62.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.266 175.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.77 -49.16 69.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.793 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.522 ' HB3' ' OD2' ' A' ' 23' ' ' ASP . 18.2 mmm180 -77.62 -65.08 1.01 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.437 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -80.4 -74.01 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.944 0.402 . . . . 0.0 110.763 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.14 66.18 0.65 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.591 -175.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -103.17 -168.6 1.53 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.6 p -86.31 148.65 25.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 164.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.556 ' HG3' HG11 ' A' ' 40' ' ' VAL . 82.3 tttt -59.0 -36.67 75.32 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.854 -177.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.0 -40.64 96.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.001 0.429 . . . . 0.0 110.842 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 71.1 ttt180 -67.43 -40.09 85.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.908 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.44 -46.69 87.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.365 176.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 47.7 mt-10 -52.82 -46.12 67.58 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -60.18 -44.73 94.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.128 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 10.4 mm-40 -72.4 -35.07 68.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 54' ' ' ALA . 73.6 t -64.29 -44.0 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 110.719 176.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 59' ' ' ARG . 69.5 mtm-85 -71.65 -23.59 61.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.763 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 57' ' ' GLU . 9.8 t70 -63.39 -45.89 88.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.891 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 90.0 t80 -65.25 -36.15 83.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.161 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.6 m -64.98 -31.07 72.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.595 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.81 -28.4 65.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.363 0.602 . . . . 0.0 110.051 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -79.54 -8.36 59.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.77 -179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 81.6 mt . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.59 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 m . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.08 -43.04 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.152 0.501 . . . . 0.0 109.987 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -53.34 -33.79 54.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.491 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.95 -45.7 4.73 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.773 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HD2' ' OE1' ' A' ' 12' ' ' GLN . 33.9 mmtp -93.0 30.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.514 -0.403 . . . . 0.0 110.703 -176.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -51.2 -59.79 3.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.645 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -67.33 -24.89 65.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.262 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.436 ' OE1' ' HD2' ' A' ' 9' ' ' LYS . 51.9 mt-30 -75.43 -37.96 60.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.146 0.498 . . . . 0.0 110.03 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.26 3.28 36.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.072 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.2 p -54.37 -51.94 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.069 0.461 . . . . 0.0 111.332 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.98 -25.73 75.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.454 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 48.5 tptt -77.15 -40.08 46.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.034 0.445 . . . . 0.0 110.116 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.5 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 87.7 mt -64.49 -37.46 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.773 174.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 29.3 ttpp -67.2 -22.12 65.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.579 176.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -86.12 -41.96 14.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.95 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 20' ' ' ARG . 15.1 tpt180 -61.63 -51.39 68.69 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.31 -176.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.5 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 12.0 m-90 -92.85 -42.85 9.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.865 0.364 . . . . 0.0 111.161 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 18' ' ' LYS . . . 100.42 -50.78 1.05 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.123 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.83 -8.71 59.56 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -173.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 24' ' ' LEU . 48.0 mt -78.93 108.52 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.025 0.44 . . . . 0.0 110.607 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 1.2 p -68.44 124.94 24.93 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.768 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 9.1 p-10 -64.72 -23.79 67.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.822 -177.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.89 -38.61 82.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.381 0.61 . . . . 0.0 109.704 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.533 ' O ' ' HE2' ' A' ' 42' ' ' LYS . 6.5 m-20 -86.55 -11.84 50.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.569 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 25' ' ' THR . 97.0 mt -89.15 -28.74 19.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.698 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 26' ' ' ASP . 55.6 mt-30 -67.35 97.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.5 -164.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.692 -172.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.13 -76.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.215 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -92.32 154.43 18.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.844 0.354 . . . . 0.0 111.797 -176.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -113.04 8.58 25.22 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.914 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.14 146.69 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.579 0.228 . . . . 0.0 111.071 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 39' ' ' LEU . . . -53.09 -32.05 45.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.337 -174.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.49 -23.12 64.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -77.1 -38.35 52.45 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.972 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 36' ' ' ALA . 7.0 mp -58.99 -43.44 91.43 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.618 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 92.6 t -54.42 -46.26 70.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.533 176.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.73 -45.3 95.02 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.711 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.533 ' HE2' ' O ' ' A' ' 28' ' ' ASP . 40.1 mmtm -73.99 -30.41 62.47 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.683 -0.304 . . . . 0.0 111.464 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 86.4 mt -64.73 -35.99 82.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.228 174.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 13.1 mm100 -71.58 -35.22 70.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.123 0.487 . . . . 0.0 109.909 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.96 -39.42 87.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.877 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -87.57 -59.97 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -91.66 -71.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.958 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.34 75.44 1.07 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -173.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -106.12 -168.83 1.49 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.973 0.416 . . . . 0.0 110.234 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -80.63 150.0 29.63 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 170.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.548 ' HD2' HG11 ' A' ' 40' ' ' VAL . 29.2 tptp -50.87 -50.82 56.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 0.0 110.9 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 31.0 tt0 -69.47 -35.5 75.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.15 99.24 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.82 -41.8 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.331 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -60.27 -45.01 94.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.904 177.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 27.8 mt-30 -58.24 -37.7 75.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.988 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.03 -35.7 69.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.516 HG13 HD22 ' A' ' 39' ' ' LEU . 58.0 t -68.2 -36.6 75.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.519 0.676 . . . . 0.0 109.593 174.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 59' ' ' ARG . 21.2 ttt85 -64.62 -37.81 88.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.761 176.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.49 ' CG ' HH22 ' A' ' 64' ' ' ARG . 13.1 t70 -58.55 -46.72 86.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.305 175.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.77 -30.53 70.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.075 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.2 m -73.84 -25.63 60.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.253 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -72.14 -32.85 67.29 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.13 0.491 . . . . 0.0 110.96 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.49 HH22 ' CG ' ' A' ' 60' ' ' ASP . 7.1 mtm180 -125.19 36.79 4.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.272 -177.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.296 -0.859 . . . . 0.0 108.777 176.819 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.225 -0.229 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.6 mm -91.9 -37.07 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 110.455 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.522 ' HG2' ' HB3' ' A' ' 35' ' ' HIS . 37.5 mtmm -72.95 -16.36 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.24 131.3 10.58 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.64 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 67.02 28.82 8.31 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.401 ' HZ3' HD11 ' A' ' 39' ' ' LEU . 42.6 t-105 -47.99 -48.72 32.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.263 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -74.14 -4.65 37.06 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.733 -0.387 . . . . 0.0 112.016 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -98.5 -17.31 18.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.542 0.686 . . . . 0.0 109.66 174.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.48 -4.75 57.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.211 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -56.65 -53.99 51.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.381 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.24 -27.07 71.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.183 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 61' ' ' PHE . 45.1 tptt -73.12 -39.97 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.985 0.422 . . . . 0.0 110.583 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.433 HG23 ' CE3' ' A' ' 21' ' ' TRP . 79.0 mt -70.81 -44.15 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.147 0.499 . . . . 0.0 110.333 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.89 -35.52 76.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.235 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.05 -34.95 72.52 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.003 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -84.69 -68.35 0.73 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.763 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.472 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 4.4 m-90 -82.26 -24.83 34.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -169.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.15 -58.7 3.98 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.86 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.13 -31.0 72.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.949 0.374 . . . . 0.0 111.045 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.44 HD11 ' CD2' ' A' ' 43' ' ' LEU . 42.5 mt -67.02 111.26 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 44.6 p -79.04 149.57 32.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.307 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -68.43 -18.34 64.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.32 -51.26 69.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.298 172.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -62.26 -40.69 97.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.128 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 25' ' ' THR . 66.7 mt -73.47 -21.54 60.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.118 -176.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -87.49 20.07 3.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.507 0.67 . . . . 0.0 110.433 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.52 -76.69 0.56 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.472 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.34 -165.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -168.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -69.19 0.2 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.495 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.58 110.26 2.23 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.557 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.532 ' ND1' ' HB3' ' A' ' 37' ' ' GLU . 1.9 p80 -173.63 157.57 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HA ' HD13 ' A' ' 39' ' ' LEU . . . -54.23 -37.64 64.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.301 0.572 . . . . 0.0 111.227 -174.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.532 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 36.2 tt0 -60.47 -33.52 72.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.026 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.484 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 77.6 t80 -74.49 -32.27 62.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.221 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 10.7 mp -59.7 -45.93 90.63 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.302 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 55' ' ' GLU . 46.8 t -56.5 -45.11 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.326 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.95 -45.46 95.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.219 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -60.78 -41.25 95.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.693 0.283 . . . . 0.0 111.061 178.01 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 93.4 mt -65.43 -35.93 82.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 13.4 mm-40 -75.12 -38.27 61.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.042 0.449 . . . . 0.0 110.609 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.04 -44.18 77.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.047 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.705 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -83.25 -58.21 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.408 -179.341 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -86.29 -67.22 0.83 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.169 0.509 . . . . 0.0 111.423 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.45 53.77 1.79 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.472 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 20.5 m0 -82.92 179.84 7.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 110.902 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.423 ' HB3' ' OE1' ' A' ' 52' ' ' GLU . 17.3 m -66.55 143.56 56.97 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 168.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -62.1 -42.78 99.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -169.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' OE1' ' HB3' ' A' ' 50' ' ' SER . 0.4 OUTLIER -72.04 -29.43 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.531 -177.825 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ttm-85 -65.92 -48.11 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.515 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.54 -50.72 72.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.7 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' HG2' HG21 ' A' ' 40' ' ' VAL . 42.7 mt-10 -64.24 -43.25 95.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.919 -178.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.36 -40.81 95.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.261 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.5 -33.1 74.93 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.899 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 54' ' ' ALA . 98.9 t -64.38 -45.17 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.421 . . . . 0.0 110.035 174.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -61.89 -42.96 99.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.855 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.9 -43.3 99.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.464 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 87.2 t80 -57.33 -46.26 83.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.604 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -68.89 -29.57 67.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.16 -37.8 84.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.984 0.421 . . . . 0.0 110.853 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -91.29 14.0 15.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.317 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.599 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.0 mm -78.09 -20.42 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.457 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -70.03 -24.04 63.21 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.499 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.9 140.56 15.48 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.653 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.8 mttp 69.88 17.11 7.61 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.008 0.523 . . . . 0.0 110.639 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.509 ' O ' HG23 ' A' ' 14' ' ' THR . 60.2 t-105 -50.47 -41.84 53.64 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.579 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -54.84 -39.34 68.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.6 tm0? -86.91 -35.45 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.991 -177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 87.8 mt -61.19 -26.31 67.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.862 -177.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.536 HG21 ' HB2' ' A' ' 30' ' ' GLN . 42.9 p -50.34 -39.93 47.67 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.746 0.308 . . . . 0.0 111.691 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.95 -39.65 98.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.54 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.95 -29.65 58.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.904 0.383 . . . . 0.0 110.688 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 13' ' ' LEU . 70.5 mt -67.15 -42.54 88.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.32 0.581 . . . . 0.0 109.749 174.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD2' ' HA2' ' A' ' 22' ' ' GLY . 21.0 tptm -65.03 -38.35 90.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.926 174.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.3 -43.07 82.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.847 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 20' ' ' ARG . 10.7 mmm-85 -71.18 -69.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.975 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.441 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . 15.5 m-90 -85.47 -44.6 12.59 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -168.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' HA2' ' HD2' ' A' ' 18' ' ' LYS . . . 85.04 -43.87 3.31 Favored Glycine 0 C--N 1.313 -0.722 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.296 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 6.5 m-20 -67.75 -23.28 65.22 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.914 0.357 . . . . 0.0 111.008 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.9 mt -74.6 109.53 8.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.226 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.729 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -57.71 128.99 39.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.225 175.698 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.74 -30.91 69.64 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.244 -0.285 . . . . 0.0 110.864 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -69.88 -22.6 63.22 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.037 0.446 . . . . 0.0 110.301 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.729 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 2.4 t70 -78.93 -41.1 30.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.644 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -74.03 -48.83 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.069 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.536 ' HB2' HG21 ' A' ' 14' ' ' THR . 10.4 tt0 -79.99 87.42 5.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.24 0.543 . . . . 0.0 109.739 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.73 -66.44 0.13 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.18 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.37 -153.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.94 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.35 -70.04 0.16 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.275 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.15 -20.51 3.77 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.802 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -46.91 142.3 3.54 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.557 0.178 . . . . 0.0 111.018 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.27 -32.88 57.34 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -170.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 37' ' ' GLU . 2.0 mp0 -57.67 -28.59 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -75.03 -38.27 61.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.46 -42.94 98.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.573 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.514 HG13 ' HB3' ' A' ' 54' ' ' ALA . 88.6 t -56.94 -46.25 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.459 175.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.78 -45.1 97.12 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.648 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.486 ' HD2' ' OD2' ' A' ' 28' ' ' ASP . 27.7 mmtp -69.61 -29.84 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.717 -0.284 . . . . 0.0 111.368 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.91 -37.78 86.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.046 0.451 . . . . 0.0 109.962 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.573 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 46.9 mt-30 -76.07 -14.92 60.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.195 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -90.96 -53.42 4.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.625 0.25 . . . . 0.0 110.898 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -73.98 -49.21 25.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 111.051 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.441 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 59.3 m-85 -92.17 -34.52 14.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.012 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.573 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 78.38 39.62 21.89 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.247 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -83.16 173.52 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 111.141 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.87 156.08 40.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.463 173.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 14.9 tmtt? -61.29 -51.83 67.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.744 0.307 . . . . 0.0 110.96 -175.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.77 -32.38 70.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 110.416 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 19.8 ttm180 -60.36 -46.67 89.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.232 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.514 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -61.79 -39.01 90.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.739 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 46.7 mt-10 -58.56 -46.67 86.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -61.25 -38.54 87.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.265 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 9.7 mm-40 -66.17 -42.05 89.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.698 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 54' ' ' ALA . 68.4 t -65.01 -32.6 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.18 0.514 . . . . 0.0 110.335 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 59' ' ' ARG . 22.1 ttm180 -64.03 -40.71 96.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.273 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.13 -42.68 99.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.303 0.573 . . . . 0.0 110.061 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.538 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 77.9 t80 -63.67 -46.26 86.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.782 178.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 65' ' ' LEU . 25.6 m -68.42 -29.7 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.589 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.56 -46.51 88.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.947 0.404 . . . . 0.0 111.184 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -87.84 16.06 6.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.699 -175.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 88.1 mt . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.563 172.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 36' ' ' ALA . 43.0 mt -91.84 -17.08 7.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 121.378 0.609 . . . . 0.0 110.613 -176.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 35' ' ' HIS . 4.2 ttpm? -67.01 -11.83 58.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.419 0.628 . . . . 0.0 110.087 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.6 177.87 21.44 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.8 mptp? 60.91 15.86 6.41 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.294 0.547 . . . . 0.0 111.407 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 33.7 t-105 -54.72 -41.53 70.45 Favored 'General case' 0 C--N 1.333 -0.121 0 O-C-N 123.166 0.291 . . . . 0.0 111.42 -174.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -61.99 -23.84 66.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.832 0.349 . . . . 0.0 111.347 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -92.81 -25.65 18.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.893 0.378 . . . . 0.0 110.637 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 17' ' ' ILE . 87.8 mt -82.34 -38.44 24.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.597 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 10' ' ' TRP . 1.7 t -50.84 -39.21 52.8 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.02 -35.69 91.8 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.038 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 41.8 tttm -89.45 -18.86 25.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.129 0.49 . . . . 0.0 110.382 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 13' ' ' LEU . 83.5 mt -69.48 -43.72 80.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.9 -28.12 68.7 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.944 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 26.3 tt0 -62.59 -48.11 80.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.972 174.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 20' ' ' ARG . 21.6 ttt180 -70.88 -67.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.424 ' CE3' HG23 ' A' ' 17' ' ' ILE . 13.2 m-90 -89.83 99.19 12.24 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.46 -1.45 29.18 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 113.94 -173.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 28.7 t70 -102.67 -11.63 18.27 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.247 -0.561 . . . . 0.0 110.546 179.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD11 ' CD2' ' A' ' 43' ' ' LEU . 49.4 mt -83.71 99.06 10.0 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.08 150.84 30.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.198 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.03 -8.94 53.35 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.328 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.93 -35.23 76.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.481 0.658 . . . . 0.0 109.755 172.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.76 -31.99 16.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.224 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.66 10.11 8.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.768 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -63.12 122.59 16.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HB2' ' CD1' ' A' ' 10' ' ' TRP . . . -68.06 90.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -172.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.03 -47.47 8.9 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 168.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -137.56 97.94 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.246 -0.888 . . . . 0.0 108.964 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.54 108.75 3.07 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.987 -169.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 1.8 p80 -173.26 163.92 4.65 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.689 0.396 . . . . 0.0 110.125 173.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' HB2' ' HB ' ' A' ' 6' ' ' ILE . . . -63.66 -40.31 96.51 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -173.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.481 ' CD ' ' H ' ' A' ' 37' ' ' GLU . 1.8 mp0 -58.18 -29.96 66.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.816 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.486 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 66.0 t80 -69.78 -37.3 76.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.902 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 42.5 tp -62.89 -43.55 98.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.82 176.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.453 HG22 HG21 ' A' ' 58' ' ' VAL . 57.3 t -56.01 -46.86 80.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.128 176.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.34 -44.64 97.34 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.31 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 69.5 mmtt -67.34 -30.35 70.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.579 0.228 . . . . 0.0 111.498 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 93.5 mt -65.21 -32.84 74.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.959 0.409 . . . . 0.0 110.118 174.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -80.94 -24.68 37.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -80.12 -48.93 12.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.384 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -86.34 -49.02 7.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.767 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 23' ' ' ASP . 40.6 m-85 -87.49 -45.78 10.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.861 0.362 . . . . 0.0 110.738 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.55 38.36 5.89 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.045 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -83.19 163.72 20.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.11 0.481 . . . . 0.0 111.473 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.5 m -69.13 158.15 35.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.887 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -57.68 -54.02 51.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 -174.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.62 -40.05 92.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -177.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -59.63 -48.58 81.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.8 -48.14 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.08 -43.99 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.425 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 14.6 mm-40 -56.56 -36.81 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.558 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -82.47 -28.75 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.335 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 54' ' ' ALA . 75.9 t -64.13 -47.86 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.84 0.352 . . . . 0.0 110.283 174.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.503 ' HD2' ' OE1' ' A' ' 56' ' ' GLN . 4.4 ptp180 -72.77 -13.44 61.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -82.89 -32.02 27.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.293 0.568 . . . . 0.0 109.763 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.484 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 85.1 t80 -61.98 -41.93 98.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.017 175.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.527 ' HA ' HD12 ' A' ' 65' ' ' LEU . 30.3 m -69.55 -17.45 63.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.566 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.35 -31.43 63.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.597 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HD3' HH11 ' A' ' 64' ' ' ARG . 16.7 ttm180 -118.47 74.76 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.323 0.582 . . . . 0.0 110.378 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 62' ' ' SER . 54.0 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.908 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 CA--C 1.527 0.059 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mt -88.02 -19.43 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.577 0.703 . . . . 0.0 109.782 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HB2' ' HB3' ' A' ' 35' ' ' HIS . 61.7 tttp -67.0 -24.37 66.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.18 174.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.53 143.51 16.33 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.633 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 63.74 26.64 14.52 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 122.558 0.343 . . . . 0.0 111.504 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' THR . 71.4 t-105 -59.93 -30.34 68.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.032 0.444 . . . . 0.0 110.228 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -64.66 -23.28 67.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.615 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -98.8 -45.08 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.331 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 17' ' ' ILE . 74.8 mt -61.65 -25.26 67.27 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.47 -173.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.581 HG22 ' HB3' ' A' ' 29' ' ' LEU . 3.2 p -51.89 -42.1 62.45 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.129 0.268 . . . . 0.0 111.599 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.5 -42.52 98.92 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.2 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.44 -35.72 75.93 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.718 -0.283 . . . . 0.0 111.003 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.504 HD13 HD21 ' A' ' 39' ' ' LEU . 90.1 mt -65.31 -44.07 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.33 0.586 . . . . 0.0 109.875 176.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 58.0 tttm -61.58 -46.84 88.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.903 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.21 -15.62 59.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.758 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -68.71 -59.43 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.972 0.415 . . . . 0.0 110.596 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.419 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 12.3 m-90 -94.82 -32.65 13.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.735 -176.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.71 -48.44 1.1 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.51 -0.853 . . . . 0.0 114.105 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -83.83 -12.41 55.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 111.387 -174.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 93.7 mt -71.68 129.16 38.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.061 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.6 p -90.14 155.97 18.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.38 -36.62 84.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.062 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.5 -45.68 89.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.653 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -29.54 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.214 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HB3' HG22 ' A' ' 14' ' ' THR . 85.0 mt -85.95 -46.46 10.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.885 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -65.58 -10.05 32.0 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.44 69.44 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.21 -163.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -167.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -78.44 -45.14 22.95 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.419 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.91 -127.15 4.49 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.289 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.606 ' CD2' ' HB2' ' A' ' 37' ' ' GLU . 46.1 p-80 55.98 157.78 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.812 1.245 . . . . 0.0 113.56 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.73 -41.99 78.46 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -170.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.606 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 32.7 mm-40 -51.01 -37.64 46.35 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -73.7 -31.49 63.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.811 0.338 . . . . 0.0 110.482 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 76.2 mt -60.33 -48.44 81.75 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.87 176.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.5 t -54.19 -37.99 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.499 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.58 -57.41 12.84 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.234 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.551 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 10.6 mmpt? -61.47 -36.97 81.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.31 . . . . 0.0 111.601 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 96.2 mt -68.5 -33.76 74.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.107 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 82.6 mt-30 -81.34 -28.31 34.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.297 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -69.35 -59.57 2.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.133 0.492 . . . . 0.0 110.9 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -71.99 -48.8 42.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.299 -173.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -97.24 -70.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 107.48 49.65 0.85 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.956 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.419 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 5.7 m0 -84.31 164.76 18.8 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -59.6 149.29 30.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 173.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -40.46 80.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.641 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.95 -49.43 76.15 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.263 0.554 . . . . 0.0 110.151 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 53' ' ' ARG . 23.4 ttt180 -61.46 -35.94 79.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.943 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.42 -51.7 67.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.613 177.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.51 -42.48 78.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.051 0.453 . . . . 0.0 110.842 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -51.92 -53.88 35.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.099 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -68.48 -27.45 66.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.885 -176.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 54' ' ' ALA . 79.5 t -64.83 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.218 175.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -67.27 -38.08 84.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.31 -23.58 64.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.791 0.329 . . . . 0.0 110.73 178.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -69.02 -37.46 78.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.607 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 p -74.78 -2.69 27.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.765 0.316 . . . . 0.0 111.756 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.05 -50.86 9.14 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 172.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.466 ' HE ' ' C ' ' A' ' 64' ' ' ARG . 1.2 tpm_? -101.85 69.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.933 0.873 . . . . 0.0 108.986 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--O 1.247 0.946 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.652 178.671 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.48 -22.16 26.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.159 0.504 . . . . 0.0 110.307 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.539 ' HG2' ' HA ' ' A' ' 35' ' ' HIS . 92.3 mttt -60.21 -33.33 72.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.949 176.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.8 -14.65 10.02 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.641 -175.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -107.84 12.13 27.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 117.093 0.447 . . . . 0.0 111.345 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.651 ' HE1' ' HA ' ' A' ' 30' ' ' GLN . 68.3 t-105 -51.27 -55.1 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.936 0.346 . . . . 0.0 111.936 -176.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.583 ' HA ' HG23 ' A' ' 14' ' ' THR . 52.1 tttp -73.18 -17.26 61.39 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.829 -176.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -78.64 -20.2 50.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.216 0.531 . . . . 0.0 109.955 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.511 ' HB3' HG13 ' A' ' 17' ' ' ILE . 95.9 mt -105.77 7.64 32.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.371 -174.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.583 HG23 ' HA ' ' A' ' 11' ' ' LYS . 3.4 p -58.36 -32.63 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.495 ' O ' ' HG2' ' A' ' 19' ' ' GLU . . . -93.17 -38.27 5.44 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.778 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -63.69 -44.12 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.929 0.491 . . . . 0.0 111.765 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.511 HG13 ' HB3' ' A' ' 13' ' ' LEU . 76.7 mt -62.06 -38.2 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.076 0.465 . . . . 0.0 110.661 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -68.34 -28.98 67.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.57 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 15' ' ' GLY . 32.5 mm-40 -77.18 -33.11 56.5 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.819 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.57 -43.65 89.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.586 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 11.8 m-90 -111.78 -93.53 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.285 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.33 -47.12 0.61 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 119.452 -1.356 . . . . 0.0 114.432 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.63 -22.29 60.97 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 117.276 0.538 . . . . 0.0 110.824 -173.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.459 HD23 ' HG2' ' A' ' 46' ' ' ARG . 89.8 mt -64.3 116.83 6.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.462 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.4 p -82.51 172.66 12.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 111.233 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -71.81 -20.04 61.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.04 -173.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -83.13 -28.78 29.19 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.504 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -76.75 -24.3 52.98 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 174.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.431 ' O ' HG22 ' A' ' 14' ' ' THR . 81.9 mt -93.04 20.29 6.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.023 176.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.651 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . 21.2 tp60 -142.52 -179.64 6.42 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.593 ' H ' ' HG3' ' A' ' 30' ' ' GLN . . . 59.09 43.7 17.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.41 0.624 . . . . 0.0 110.074 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 10' ' ' TRP . . . -67.19 143.94 56.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.423 -173.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -79.42 -17.58 54.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 168.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 35' ' ' HIS . . . 93.02 56.28 1.51 Allowed Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.018 -0.992 . . . . 0.0 114.063 169.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.675 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 7.5 p80 174.3 155.51 0.13 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 117.046 0.423 . . . . 0.0 111.23 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.47 71.41 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.675 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 3.2 mp0 -58.36 -25.76 62.38 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.846 0.355 . . . . 0.0 111.166 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -72.57 -33.89 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 109.963 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 31.2 tp -69.43 -40.64 77.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.575 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.486 HG22 HG21 ' A' ' 58' ' ' VAL . 59.0 t -58.98 -46.64 91.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.059 175.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.57 -42.13 97.59 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.025 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 53.6 mmtt -63.91 -31.76 73.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 87.9 mt -68.76 -36.82 78.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.866 0.365 . . . . 0.0 110.492 176.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 50.9 mt-30 -76.35 -20.4 57.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.013 0.435 . . . . 0.0 110.834 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.37 -51.86 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.023 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.459 ' HG2' HD23 ' A' ' 24' ' ' LEU . 7.6 tpt180 -77.93 -46.23 21.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 -176.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -94.74 -52.07 4.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.853 0.358 . . . . 0.0 111.014 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 94.55 42.27 3.96 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.907 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -86.99 176.88 7.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.2 m -72.9 156.06 39.25 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 51' ' ' LYS . 34.0 ttmt -59.25 -47.33 85.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.615 0.245 . . . . 0.0 111.213 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -62.34 -43.96 97.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.372 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -56.1 -42.32 76.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.108 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.59 -44.69 81.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.992 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.42 -42.78 88.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.804 0.335 . . . . 0.0 111.133 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -59.36 -42.86 92.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.978 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -65.3 -38.47 90.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.004 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.486 HG21 HG22 ' A' ' 40' ' ' VAL . 85.5 t -65.82 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.362 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -63.4 -33.24 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.609 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.53 -55.73 18.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.095 0.474 . . . . 0.0 109.847 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -58.79 -40.8 85.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.503 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.0 p -69.69 -19.36 63.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -74.77 -23.28 58.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.241 0.543 . . . . 0.0 110.06 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 7.8 35.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.004 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.772 -0.633 . . . . 0.0 110.498 -179.497 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.489 HG13 ' H ' ' A' ' 6' ' ' ILE . 4.1 p . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.489 ' H ' HG13 ' A' ' 5' ' ' VAL . 62.2 mt -91.92 -27.96 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.445 0.641 . . . . 0.0 110.029 177.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -56.52 -37.1 69.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.502 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 9' ' ' LYS . . . -113.74 144.41 18.18 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 33.8 mtmm 79.54 15.61 0.92 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.662 0.785 . . . . 0.0 110.215 -175.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.435 ' O ' HG23 ' A' ' 14' ' ' THR . 55.8 t-105 -50.82 -43.27 58.92 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.426 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -20.43 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.242 -176.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 12' ' ' GLN . 9.6 mm-40 -91.34 -30.39 16.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.195 0.522 . . . . 0.0 110.342 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.2 mt -81.52 -9.0 59.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.064 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 10' ' ' TRP . 15.6 p -46.49 -55.17 7.91 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -177.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.12 -31.18 75.83 Favored Glycine 0 CA--C 1.517 0.219 0 C-N-CA 121.113 -0.565 . . . . 0.0 113.139 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -82.93 -38.97 22.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.855 0.36 . . . . 0.0 110.305 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG23 ' HZ3' ' A' ' 21' ' ' TRP . 81.8 mt -62.99 -48.94 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.3 0.572 . . . . 0.0 109.695 175.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 43.9 tttm -53.57 -50.08 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.504 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -84.55 -5.85 59.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.373 -168.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.474 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 49.6 ttt-85 -74.81 -55.17 6.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.308 0.575 . . . . 0.0 109.674 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.457 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 20.7 m-90 -82.35 -36.13 27.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.0 -31.0 5.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.144 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.422 ' OD2' ' HB3' ' A' ' 46' ' ' ARG . 34.6 t70 -84.63 -34.66 23.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.174 0.487 . . . . 0.0 110.947 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.53 HD23 ' HG3' ' A' ' 46' ' ' ARG . 88.2 mt -57.71 130.06 44.7 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.399 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.3 p -96.77 160.05 14.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -71.38 -10.58 60.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.418 . . . . 0.0 109.891 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.41 -41.08 61.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.318 174.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -66.94 -30.67 70.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.189 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -92.06 7.99 39.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.716 -172.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -125.5 18.78 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.623 0.725 . . . . 0.0 109.349 175.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.45 -60.2 2.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.756 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.78 -157.7 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -167.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.551 ' HB3' ' HD2' ' A' ' 35' ' ' HIS . 15.8 t70 -50.81 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.81 -173.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' HA2' ' CD2' ' A' ' 10' ' ' TRP . . . 146.28 -23.64 1.72 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.439 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.551 ' HD2' ' HB3' ' A' ' 33' ' ' ASP . 3.6 p80 -50.25 132.23 24.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.8 0.3 . . . . 0.0 110.455 175.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.561 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -52.17 -33.47 40.67 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.611 0.569 . . . . 0.0 112.043 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 62.4 tt0 -50.84 -34.54 28.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.547 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -69.63 -42.35 74.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.171 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.781 HD11 HG22 ' A' ' 58' ' ' VAL . 2.4 pp -70.84 -22.12 62.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.498 HG22 HG21 ' A' ' 58' ' ' VAL . 93.8 t -60.61 -46.26 95.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.695 171.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.17 -35.59 92.28 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.738 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 54.6 mmtt -64.32 -35.31 80.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.554 0.216 . . . . 0.0 111.097 176.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 86.8 mt -67.04 -35.45 79.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.956 0.408 . . . . 0.0 110.086 176.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -71.78 -30.96 66.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.288 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.39 -59.21 2.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.055 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HG3' HD23 ' A' ' 24' ' ' LEU . 14.1 mmm180 -69.95 -44.72 68.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.637 -174.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -102.07 -61.62 1.36 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.83 0.347 . . . . 0.0 110.824 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.83 51.4 0.9 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.416 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.457 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 14.6 m0 -91.71 169.02 11.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.164 0.507 . . . . 0.0 110.89 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 m -74.62 158.16 34.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.443 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.17 -45.79 90.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.83 -172.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.17 -31.8 73.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.964 0.411 . . . . 0.0 111.437 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -75.12 -44.19 48.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.759 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -60.2 -44.58 95.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.827 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.89 -39.5 92.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.186 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.26 -42.41 98.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.767 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HG3' ' CZ3' ' A' ' 49' ' ' TRP . 46.3 mm-40 -60.92 -44.49 97.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.754 177.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.781 HG22 HD11 ' A' ' 39' ' ' LEU . 59.0 t -63.21 -43.95 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.456 177.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -62.08 -42.87 99.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.951 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -59.4 -45.81 90.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.077 0.465 . . . . 0.0 110.303 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.496 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 88.4 t80 -63.71 -49.36 73.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.984 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -67.07 -34.69 78.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.611 -175.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -70.75 -29.53 65.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.079 0.466 . . . . 0.0 110.424 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -93.42 13.08 22.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.499 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 70.7 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.107 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.325 0.583 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.508 ' HA ' HD12 ' A' ' 13' ' ' LEU . 30.7 mt -65.86 -27.88 42.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.42 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -58.59 -36.1 73.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.257 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.87 -52.48 1.39 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.99 -175.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -89.71 29.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.632 0.253 . . . . 0.0 111.62 -174.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -51.48 -45.28 62.75 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.988 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.86 -12.28 61.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -175.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -98.72 -28.63 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.224 0.535 . . . . 0.0 110.151 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 6' ' ' ILE . 92.5 mt -84.21 0.8 47.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.46 -176.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 p -54.04 -54.42 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.502 . . . . 0.0 110.728 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -72.23 -13.27 76.64 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.706 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -38.38 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.986 0.422 . . . . 0.0 110.193 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.518 HG23 ' CE3' ' A' ' 21' ' ' TRP . 76.1 mt -66.14 -44.99 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.376 0.608 . . . . 0.0 109.703 175.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.19 -33.9 72.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.527 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 20.7 tt0 -67.0 -26.95 67.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.785 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 20' ' ' ARG . 36.9 ttt85 -90.49 -71.3 0.63 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 -178.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.518 ' CE3' HG23 ' A' ' 17' ' ' ILE . 5.3 m-90 -82.89 -47.88 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 110.886 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.2 -39.11 2.87 Favored Glycine 0 C--N 1.314 -0.657 0 C-N-CA 120.923 -0.656 . . . . 0.0 114.366 172.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.68 -28.64 68.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 117.118 0.459 . . . . 0.0 110.686 -176.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.42 126.09 26.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.849 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.6 p -82.35 168.24 17.74 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.334 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.92 -27.91 68.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.206 0.527 . . . . 0.0 109.96 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.79 -31.25 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.992 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -70.81 -34.13 71.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.275 0.56 . . . . 0.0 110.292 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.5 mt -100.33 4.36 43.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.039 -171.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 6.8 tt0 -122.67 19.21 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.226 0.536 . . . . 0.0 110.453 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB3' ' OH ' ' A' ' 38' ' ' TYR . . . -99.83 -83.3 0.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.524 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . . . -99.31 -164.86 1.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -170.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -70.37 156.09 39.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.632 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.83 24.48 23.88 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.675 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 3.5 p80 -62.81 149.92 42.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.899 0.349 . . . . 0.0 110.401 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.43 68.35 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HB2' ' ND1' ' A' ' 35' ' ' HIS . 24.0 mm-40 -55.97 -28.81 58.72 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.834 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.524 ' CE1' ' HB3' ' A' ' 32' ' ' ALA . 53.3 t80 -70.66 -42.03 71.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.896 0.379 . . . . 0.0 110.372 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 7.9 mp -67.11 -46.76 73.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.751 176.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.515 ' HA ' ' HB1' ' A' ' 54' ' ' ALA . 77.2 t -53.91 -49.32 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.627 177.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.83 -44.9 97.48 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.807 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.618 ' HG2' ' OE1' ' A' ' 45' ' ' GLU . 17.4 mttm -72.23 -27.45 62.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.918 0.359 . . . . 0.0 111.925 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 92.0 mt -68.91 -31.87 71.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 173.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -77.45 -28.67 52.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.587 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.618 ' OE1' ' HG2' ' A' ' 42' ' ' LYS . 45.9 mt-10 -69.04 -63.21 1.1 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.123 0.487 . . . . 0.0 110.877 175.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -77.46 -46.15 23.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.185 -169.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.448 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 73.3 m-85 -95.95 -38.54 10.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 0.0 111.234 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.24 40.78 8.92 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.834 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -83.05 168.61 16.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 110.637 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.7 m -76.49 153.23 35.7 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 172.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.59 -38.93 89.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.559 0.219 . . . . 0.0 110.784 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.6 -44.59 81.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.187 0.518 . . . . 0.0 110.188 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -70.21 -41.61 73.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.582 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 40' ' ' VAL . . . -58.71 -51.62 69.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.349 177.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.67 -46.27 74.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 175.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -61.06 -44.9 96.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -64.96 -42.06 94.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.45 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 54' ' ' ALA . 93.3 t -64.18 -47.78 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.757 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -62.67 -32.69 73.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.464 0.65 . . . . 0.0 110.583 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 34.0 t70 -75.8 -31.58 59.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.789 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 60.1 t80 -64.32 -44.41 91.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.518 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.552 ' HA ' HD12 ' A' ' 65' ' ' LEU . 5.5 p -67.95 -14.65 63.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.855 0.36 . . . . 0.0 111.198 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.507 ' HB3' ' O ' ' A' ' 60' ' ' ASP . 21.4 t70 -68.18 -30.37 69.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -106.67 20.17 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.351 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 62' ' ' SER . 89.7 mt . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.337 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.7 mt -88.64 -4.35 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.921 -166.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -74.58 -5.51 43.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.738 . . . . 0.0 109.526 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -143.74 169.58 26.01 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.9 mttt 63.33 21.68 12.92 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.552 0.341 . . . . 0.0 111.286 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.557 ' CE2' ' HB3' ' A' ' 32' ' ' ALA . 57.3 t-105 -54.18 -46.8 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.675 -176.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -77.28 -13.01 60.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 0.0 110.783 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -98.62 -12.57 20.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -106.25 7.64 31.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.823 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 29' ' ' LEU . 17.2 p -56.96 -52.61 64.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.577 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.41 -35.28 91.84 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.468 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -65.26 -42.16 93.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.008 0.433 . . . . 0.0 110.149 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.489 HG23 ' CE3' ' A' ' 21' ' ' TRP . 98.8 mt -70.5 -45.95 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -63.35 -24.17 67.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.64 -37.79 87.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.282 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -84.58 -55.22 4.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.732 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.489 ' CE3' HG23 ' A' ' 17' ' ' ILE . 6.0 m0 -107.64 108.11 19.22 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.659 -175.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.07 -7.75 84.89 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.515 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.414 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 2.5 m-20 -83.86 -6.69 59.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.065 0.459 . . . . 0.0 110.634 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.4 mt -93.8 112.92 24.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.57 175.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.1 p -81.16 177.53 8.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.195 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.97 -37.33 76.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.265 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.02 -40.49 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.93 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -60.69 -38.21 84.21 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.818 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.495 ' HB3' HG22 ' A' ' 14' ' ' THR . 78.7 mt -92.4 -0.0 57.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.346 -176.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -101.32 -44.6 5.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.264 0.554 . . . . 0.0 109.53 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.65 95.5 9.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.269 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.557 ' HB3' ' CE2' ' A' ' 10' ' ' TRP . . . -172.68 144.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.98 174.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.05 -33.06 63.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.128 0.489 . . . . 0.0 109.968 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.8 87.88 1.95 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.688 -0.767 . . . . 0.0 113.195 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 1.5 p80 -174.0 149.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 171.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.468 ' HB1' HG11 ' A' ' 58' ' ' VAL . . . -53.06 -37.51 61.67 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.822 0.701 . . . . 0.0 112.259 -173.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.524 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 40.9 tt0 -59.05 -34.46 71.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.375 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.48 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 36.0 t80 -75.71 -26.97 58.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 110.213 -176.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 10.2 mp -68.18 -39.31 82.56 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 174.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.88 -43.74 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.568 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.528 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -60.81 -50.47 67.18 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.205 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -61.2 -39.54 90.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.777 0.289 . . . . 0.0 111.713 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 84.5 mt -66.6 -36.14 81.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.917 0.389 . . . . 0.0 110.432 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -66.69 -46.78 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 51.7 mm-40 -73.39 -41.26 63.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.878 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -82.57 -60.84 2.06 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 23' ' ' ASP . 35.0 m-85 -75.88 -56.96 4.17 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.059 0.456 . . . . 0.0 111.222 -177.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.1 38.17 3.41 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.441 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 45.1 m0 -84.0 160.39 21.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.694 0.283 . . . . 0.0 110.485 177.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 p -68.45 155.32 40.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.37 -42.17 98.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.517 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.22 -43.77 98.34 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.937 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -64.85 -46.86 80.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.382 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -55.68 -53.95 50.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.574 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -49.0 -46.9 44.62 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.26 0.553 . . . . 0.0 111.315 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -66.38 -48.59 69.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.178 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.483 ' HA ' ' HB3' ' A' ' 60' ' ' ASP . 21.4 mt-10 -72.43 -23.85 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 54' ' ' ALA . 55.6 t -65.69 -46.25 89.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 0.0 110.211 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -69.81 -37.72 76.36 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.903 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 57' ' ' GLU . 19.7 t70 -56.65 -35.79 68.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.504 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -68.03 -43.67 78.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.377 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.415 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 20.0 m -67.52 -28.89 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.208 0.527 . . . . 0.0 110.56 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.14 -30.31 66.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.296 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -89.18 7.17 36.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.155 -177.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' ' 62' ' ' SER . 86.9 mt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.576 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 121.229 0.537 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.443 HG23 HD23 ' A' ' 13' ' ' LEU . 16.6 mt -85.81 2.7 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.777 -175.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' GLY . 53.7 mttm -77.31 -7.7 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.987 0.422 . . . . 0.0 110.36 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.28 172.37 23.84 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 178.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 mttm 64.2 16.98 10.43 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.699 0.4 . . . . 0.0 110.663 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -56.66 -39.7 74.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.188 -173.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -67.17 -23.75 65.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.799 0.333 . . . . 0.0 111.04 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -91.74 -29.97 16.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.924 0.392 . . . . 0.0 110.482 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.443 HD23 HG23 ' A' ' 6' ' ' ILE . 7.9 mp -72.81 -11.67 60.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.513 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -48.3 -67.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.66 -30.16 75.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.921 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -66.61 -44.53 81.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.987 0.422 . . . . 0.0 110.337 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.19 -38.51 70.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.283 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -55.23 -49.8 71.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.647 175.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -74.18 -18.98 60.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.151 0.5 . . . . 0.0 111.014 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -40.0 60.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.328 -178.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.509 ' HB2' HD12 ' A' ' 24' ' ' LEU . 4.8 m-90 -121.76 5.68 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 -177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.17 -71.67 1.45 Allowed Glycine 0 CA--C 1.519 0.305 0 C-N-CA 121.181 -0.533 . . . . 0.0 114.314 170.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.486 ' OD2' ' HD3' ' A' ' 46' ' ' ARG . 16.8 t70 -70.29 -24.03 62.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -171.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.57 HD23 ' HG3' ' A' ' 46' ' ' ARG . 27.9 mt -59.48 105.32 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.73 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.593 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 36.8 m -79.77 149.28 31.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.636 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.78 -39.14 65.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.22 -36.63 84.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.288 -176.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.593 ' OD2' ' HB ' ' A' ' 25' ' ' THR . 14.6 m-20 -69.72 -27.25 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.192 0.52 . . . . 0.0 110.848 -178.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.65 -48.15 7.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.731 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -71.5 4.25 3.2 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.319 0.58 . . . . 0.0 110.909 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.5 -64.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.21 -178.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.47 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . . . -117.32 -96.0 0.47 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -144.72 172.63 12.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 111.998 -170.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 7' ' ' LYS . . . -109.59 129.75 9.6 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.636 -0.711 . . . . 0.0 113.389 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 2.0 p80 178.94 153.33 0.38 Allowed 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 174.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.19 -47.87 12.49 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 37' ' ' GLU . 2.4 mp0 -58.49 -28.07 65.03 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.559 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 49.8 t80 -74.66 -39.71 61.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.5 mp -65.08 -48.33 74.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.601 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -52.85 -47.08 52.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.655 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.91 -47.24 91.94 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.623 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 69.3 mmtt -65.65 -32.42 73.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.729 0.265 . . . . 0.0 111.462 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 95.4 mt -66.07 -34.17 77.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 110.247 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.512 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 55.1 mt-30 -83.93 -15.02 49.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.0 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -82.72 -51.31 7.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.94 0.4 . . . . 0.0 110.434 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.57 ' HG3' HD23 ' A' ' 24' ' ' LEU . 4.4 mmp_? -70.84 -58.42 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.596 -177.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -98.12 -45.8 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.004 0.43 . . . . 0.0 111.21 -177.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 86.57 57.27 2.1 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.613 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.496 ' CZ3' ' HG3' ' A' ' 57' ' ' GLU . 25.2 m0 -84.38 174.02 10.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.985 0.421 . . . . 0.0 110.415 176.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 m -70.62 146.26 50.15 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 167.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.61 -35.26 75.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.817 0.341 . . . . 0.0 110.612 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.28 -43.2 99.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 53' ' ' ARG . 21.1 ttp-105 -68.49 -36.26 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.453 178.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.54 -45.04 94.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.609 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.51 -40.64 83.41 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.153 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -52.03 -56.12 16.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.208 0.528 . . . . 0.0 110.242 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.507 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 33.8 mm-40 -61.48 -40.46 94.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.487 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 54' ' ' ALA . 82.4 t -60.86 -46.51 96.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.721 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -66.72 -38.49 86.8 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.171 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.92 -37.88 77.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.163 0.506 . . . . 0.0 110.626 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -76.09 -41.66 49.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.717 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 m -64.0 -35.79 81.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.41 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -74.63 -17.34 60.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.328 0.585 . . . . 0.0 110.361 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -85.27 -19.32 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.634 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.724 -177.939 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 121.035 0.445 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 13' ' ' LEU . 51.8 mt -91.88 -27.16 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.264 0.554 . . . . 0.0 109.668 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.766 ' HA ' ' HA3' ' A' ' 34' ' ' GLY . 25.5 ttpp -56.59 -24.28 46.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.099 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.31 0.04 43.8 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.681 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -135.33 19.03 3.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.805 0.336 . . . . 0.0 110.279 -176.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.456 ' CE3' ' HA2' ' A' ' 34' ' ' GLY . 57.5 t-105 -49.15 -57.33 6.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.674 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -81.63 -6.4 58.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.204 0.526 . . . . 0.0 110.63 -174.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -98.45 -9.96 24.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.499 HD12 HG23 ' A' ' 6' ' ' ILE . 70.8 mt -109.13 -1.23 18.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.212 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.4 p -52.56 -45.12 66.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.411 -177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.23 -46.25 94.34 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.632 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -67.69 -37.97 83.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.92 0.39 . . . . 0.0 110.565 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 13' ' ' LEU . 79.5 mt -64.76 -44.97 96.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.427 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 86.3 tttt -57.97 -44.35 87.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.957 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -67.64 -28.43 67.72 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 20' ' ' ARG . 14.8 ttm180 -72.37 -53.61 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.553 -177.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -97.84 -17.17 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.042 -174.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.1 -54.03 4.45 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.012 -0.613 . . . . 0.0 114.442 170.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.71 -17.8 59.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.821 0.343 . . . . 0.0 111.532 -173.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.549 HD13 HD21 ' A' ' 29' ' ' LEU . 96.1 mt -69.53 121.21 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.947 177.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -88.11 169.54 11.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 0.0 111.077 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 6.5 m-20 -67.11 -29.04 68.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.35 -33.57 23.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.888 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.75 -27.84 66.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.449 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD21 HD13 ' A' ' 24' ' ' LEU . 98.0 mt -92.13 23.4 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.342 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 31.0 mm-40 -111.99 152.29 28.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 176.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 66.91 96.19 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.925 0.766 . . . . 0.0 112.322 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.21 175.07 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.435 ' HB2' ' HD2' ' A' ' 35' ' ' HIS . 2.7 m-20 -73.37 -50.77 20.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 171.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.766 ' HA3' ' HA ' ' A' ' 7' ' ' LYS . . . 121.33 -24.76 7.21 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.673 -177.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -57.26 140.96 48.34 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.674 0.273 . . . . 0.0 111.588 -177.119 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.04 -38.3 4.79 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -176.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.59 -25.58 64.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.665 0.269 . . . . 0.0 111.276 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -74.59 -34.33 62.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.1 mp -65.78 -38.03 87.92 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.893 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.54 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 57.7 t -56.86 -46.52 83.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.097 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.83 -46.32 94.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.01 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -60.3 -43.38 96.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.598 0.237 . . . . 0.0 111.4 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 96.0 mt -64.83 -32.59 74.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.628 0.251 . . . . 0.0 111.188 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.541 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 7.2 mm-40 -73.28 -37.47 66.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.787 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -74.86 -35.19 62.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.591 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.452 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -75.82 -55.22 5.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.693 -179.427 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.41 -69.56 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.278 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.67 82.55 1.63 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.997 -175.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -114.22 -177.02 3.03 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -58.4 138.03 56.84 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 167.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 4.5 ttpt -59.43 -40.27 86.23 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.276 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.17 -48.39 81.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.086 0.47 . . . . 0.0 109.911 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -59.25 -42.38 90.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.881 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.93 85.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.643 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 26.2 mt-10 -59.08 -49.03 79.43 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.835 177.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 16.5 mm-40 -60.05 -33.91 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.407 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -61.39 -40.52 94.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.656 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.435 HG13 HD22 ' A' ' 39' ' ' LEU . 25.0 t -77.39 -35.42 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.742 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 36.3 mmt180 -61.91 -43.71 98.29 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.485 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.63 -45.76 85.02 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.185 0.517 . . . . 0.0 110.685 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -62.18 -50.51 71.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.705 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m -66.0 -28.13 68.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.226 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.88 -31.92 71.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.23 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 69.3 ttt180 -94.99 22.3 6.72 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.37 0.605 . . . . 0.0 110.591 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.709 -0.662 . . . . 0.0 109.854 176.613 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.222 0.535 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 13' ' ' LEU . 31.4 mt -87.73 -20.54 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.826 -176.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -60.91 -21.94 63.85 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.407 -172.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.02 -54.14 1.67 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.895 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 4.1 mptp? -95.65 24.79 5.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -172.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.601 ' CE3' ' HA3' ' A' ' 34' ' ' GLY . 51.4 t-105 -53.21 -41.63 65.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.069 177.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -60.68 -24.57 65.71 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.588 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -98.58 -25.64 14.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.99 0.424 . . . . 0.0 111.013 -178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 6' ' ' ILE . 91.1 mt -84.99 6.3 25.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.482 -176.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.7 p -56.29 -47.92 77.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.042 0.449 . . . . 0.0 111.123 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.71 -35.27 89.52 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.004 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -64.34 -48.43 75.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.59 0.233 . . . . 0.0 111.058 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.483 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 88.0 mt -60.74 -41.59 88.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -64.64 -41.02 96.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.046 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.54 -24.39 60.12 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.833 0.349 . . . . 0.0 111.379 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.522 ' NH2' ' HA ' ' A' ' 61' ' ' PHE . 11.0 mmt180 -69.46 -63.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.044 0.449 . . . . 0.0 110.783 175.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.483 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 16.4 m-90 -93.13 -66.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.486 -175.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.14 -46.06 1.17 Allowed Glycine 0 C--N 1.313 -0.718 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.909 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.08 -25.76 63.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.88 0.371 . . . . 0.0 111.475 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.21 104.96 9.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.382 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.533 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 70.4 p -72.56 159.66 33.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.941 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.19 -8.92 57.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.942 0.401 . . . . 0.0 110.346 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -80.51 -32.13 37.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.894 171.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.95 -26.59 63.24 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.329 0.585 . . . . 0.0 109.448 172.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 25' ' ' THR . 58.7 mt -95.23 18.49 12.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.723 -176.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -118.51 92.89 3.93 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.07 -151.37 0.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.862 -172.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 -155.63 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.969 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -62.66 121.69 13.99 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 111.09 -175.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.601 ' HA3' ' CE3' ' A' ' 10' ' ' TRP . . . -81.36 67.96 3.54 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.968 -178.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 29.3 p-80 -92.0 166.57 12.62 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.68 79.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -172.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.433 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 74.4 mm-40 -60.25 -25.35 65.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.645 0.259 . . . . 0.0 111.435 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -76.16 -38.61 56.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.1 -42.51 99.29 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.363 175.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 60.6 t -55.01 -39.74 50.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.282 177.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.81 -49.86 65.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.435 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 57.4 mmtt -66.92 -34.78 78.52 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.724 -0.28 . . . . 0.0 111.61 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 47' ' ' TYR . 84.8 mt -71.83 -30.19 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.906 0.384 . . . . 0.0 110.462 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 1.2 mm-40 -75.3 -29.79 60.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.35 0.595 . . . . 0.0 110.121 174.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -78.0 -54.32 6.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.501 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -81.8 -30.48 32.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.748 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 80.8 m-85 -111.41 -54.85 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 111.467 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.55 37.85 4.13 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.897 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -82.87 163.53 21.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.814 0.34 . . . . 0.0 111.253 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.7 m -65.87 156.82 32.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.606 173.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -60.7 -46.12 91.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.879 0.371 . . . . 0.0 110.051 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -65.45 -39.02 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.931 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -57.31 -49.73 75.17 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.529 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.33 -40.94 98.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.779 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.88 -46.53 71.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.514 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.75 -30.78 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.437 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -71.91 -41.41 67.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.865 0.364 . . . . 0.0 110.315 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 54' ' ' ALA . 91.2 t -63.93 -39.04 84.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.026 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -61.9 -51.14 69.37 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.328 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.87 -37.07 75.69 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.031 0.443 . . . . 0.0 110.815 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.522 ' HA ' ' NH2' ' A' ' 20' ' ' ARG . 46.5 t80 -63.11 -48.62 77.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.413 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 p -87.1 -17.05 33.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.825 0.345 . . . . 0.0 111.833 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.01 -40.16 28.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.078 0.466 . . . . 0.0 109.898 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.466 ' HB3' HH22 ' A' ' 20' ' ' ARG . 33.1 ttt180 -96.74 67.1 2.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.916 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.44 -0.79 . . . . 0.0 109.477 174.196 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 121.385 0.612 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -92.02 3.6 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.634 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.652 ' HA ' ' O ' ' A' ' 34' ' ' GLY . 82.7 tttt -72.03 -26.73 62.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.758 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.99 157.84 15.11 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp 65.34 28.09 11.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.697 0.284 . . . . 0.0 110.745 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.544 ' O ' HG23 ' A' ' 14' ' ' THR . 50.4 t-105 -50.42 -41.52 52.54 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.758 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -71.11 -29.88 65.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.523 0.202 . . . . 0.0 111.365 -176.566 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -80.74 -39.33 27.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.01 0.434 . . . . 0.0 110.85 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.469 ' O ' HG13 ' A' ' 17' ' ' ILE . 98.9 mt -71.61 -15.06 62.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.606 -175.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 10' ' ' TRP . 44.2 p -49.2 -49.63 41.87 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 123.452 0.47 . . . . 0.0 111.341 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.582 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -55.74 -43.97 86.71 Favored Glycine 0 C--O 1.226 -0.39 0 CA-C-N 115.819 -0.628 . . . . 0.0 113.029 -178.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.68 -31.65 59.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.572 0.225 . . . . 0.0 111.439 -175.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 13' ' ' LEU . 62.1 mt -66.33 -41.85 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 173.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -65.54 -32.3 73.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.475 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 44.0 mt-10 -70.37 -43.11 70.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.711 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.68 ' NH1' ' HA ' ' A' ' 61' ' ' PHE . 12.3 ttm180 -71.15 -57.77 4.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.042 -171.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -87.79 -44.68 10.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 111.248 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.29 -37.9 3.28 Favored Glycine 0 C--N 1.317 -0.527 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.721 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.79 -38.38 79.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.283 0.541 . . . . 0.0 111.19 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.505 HD23 ' HG3' ' A' ' 46' ' ' ARG . 90.1 mt -57.97 119.05 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.5 p -87.84 -178.23 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.29 -30.57 71.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.998 0.427 . . . . 0.0 110.072 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.74 -36.27 83.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.1 178.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.554 ' HA ' ' HE2' ' A' ' 42' ' ' LYS . 17.5 m-20 -77.31 -27.28 52.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 -177.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.8 mt -96.71 16.13 19.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.098 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -128.69 163.32 25.37 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.89 67.68 0.6 Allowed 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.626 0.579 . . . . 0.0 111.446 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.27 160.14 42.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.544 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -27.46 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.214 175.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.652 ' O ' ' HA ' ' A' ' 7' ' ' LYS . . . 85.97 92.14 0.87 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.09 -173.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.32 156.78 0.77 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.27 76.77 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.499 0.499 . . . . 0.0 111.378 -173.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -56.06 -32.91 64.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.281 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -71.35 -40.36 70.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.374 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.0 mp -63.87 -39.51 94.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.89 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 54' ' ' ALA . 85.9 t -54.96 -49.86 67.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.384 176.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.76 -44.2 98.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.307 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 26.6 mmtm -66.58 -34.37 77.74 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 122.798 -0.236 . . . . 0.0 111.588 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 85.5 mt -70.33 -37.03 74.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.618 0.247 . . . . 0.0 110.854 178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 23.1 mt-30 -72.15 -30.5 65.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -73.63 -54.77 7.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HG3' HD23 ' A' ' 24' ' ' LEU . 24.1 mmt180 -71.39 -59.91 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.905 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -81.86 -52.69 6.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.02 0.438 . . . . 0.0 111.165 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.33 46.59 2.34 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.479 -175.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -89.56 177.63 6.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.93 0.395 . . . . 0.0 110.377 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.2 t -90.51 156.84 17.89 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -57.41 -48.15 79.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -171.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -76.23 -25.17 54.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.87 -172.302 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -67.6 -47.77 68.75 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 173.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -59.64 -44.93 93.34 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.267 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.15 -43.47 78.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -61.48 -44.83 96.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.63 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.17 -34.66 71.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.545 0.212 . . . . 0.0 111.27 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 54' ' ' ALA . 98.9 t -69.97 -37.07 71.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.234 0.54 . . . . 0.0 110.026 175.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -63.09 -39.84 95.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.762 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.49 -39.47 93.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.391 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.68 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 93.2 t80 -59.2 -39.73 83.54 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.943 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -69.16 -35.14 76.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.971 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -64.52 -52.1 59.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 110.248 176.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.609 ' HB2' HH12 ' A' ' 20' ' ' ARG . 50.9 mtt180 -85.29 61.47 6.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.001 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 32.1 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.655 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.704 0.288 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.1 mt -75.53 -36.38 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.343 0.592 . . . . 0.0 110.069 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.712 ' HA ' ' HA3' ' A' ' 34' ' ' GLY . 85.4 tttt -61.58 -28.19 69.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.838 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.84 -39.77 5.43 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.835 -178.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -105.27 28.32 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.806 0.303 . . . . 0.0 111.264 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -51.64 -50.25 60.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -175.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 36.9 ttmt -76.46 -12.56 60.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.102 0.477 . . . . 0.0 110.973 -175.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -92.6 -39.26 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.213 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 17' ' ' ILE . 94.7 mt -77.9 -2.76 38.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.086 -174.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -51.44 -42.21 61.37 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.39 -44.01 85.82 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.251 -0.5 . . . . 0.0 112.911 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -68.56 -34.81 76.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.822 -0.222 . . . . 0.0 111.443 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.498 HG23 ' CE3' ' A' ' 21' ' ' TRP . 72.1 mt -64.31 -43.99 97.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.216 0.532 . . . . 0.0 109.9 176.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 52.8 tptt -59.87 -30.39 68.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.006 175.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -79.01 -49.37 12.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.268 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.629 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.4 mmp_? -61.59 -58.81 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -175.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.498 ' CE3' HG23 ' A' ' 17' ' ' ILE . 6.9 m0 -100.54 -23.94 14.58 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.942 -173.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' A' ' 18' ' ' LYS . . . 83.45 -67.35 3.75 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.812 -0.708 . . . . 0.0 114.795 167.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.57 -20.67 64.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -169.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -58.96 129.1 40.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.933 0.397 . . . . 0.0 110.826 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 11.2 t -94.98 174.95 6.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.681 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -70.75 -14.16 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.756 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' H ' HG23 ' A' ' 25' ' ' THR . 13.6 m-20 -71.39 -45.45 62.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.477 ' OD2' HG22 ' A' ' 25' ' ' THR . 34.5 m-20 -65.8 -34.25 77.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.696 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 25' ' ' THR . 41.3 mt -91.43 7.73 39.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.943 -174.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -152.15 72.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.977 0.418 . . . . 0.0 110.116 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 177.27 47.53 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.683 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -150.25 168.37 24.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -171.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.584 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -104.38 17.53 23.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.988 172.516 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.712 ' HA3' ' HA ' ' A' ' 7' ' ' LYS . . . 75.0 -144.67 32.56 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.483 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.691 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 19.8 p80 53.45 156.05 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.37 1.468 . . . . 0.0 113.897 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -58.67 -41.07 85.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.374 -172.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.691 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 10.7 mp0 -52.4 -36.45 54.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.656 -176.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 49.8 t80 -73.68 -42.82 60.79 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.241 -178.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.56 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 60.6 mt -60.03 -43.92 94.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.623 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 36' ' ' ALA . 67.2 t -51.65 -47.23 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.453 0.471 . . . . 0.0 110.376 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.21 -47.59 90.22 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.271 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 57.8 mmtt -64.83 -37.29 87.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 59.3 mt -70.27 -28.08 64.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 14.4 mm100 -83.09 -36.57 24.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.111 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.31 -53.87 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.861 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -78.68 -52.04 8.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.372 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -98.21 -69.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.974 0.416 . . . . 0.0 111.284 -173.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.6 64.5 0.7 Allowed Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.953 -176.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.509 ' HB3' ' HD2' ' A' ' 53' ' ' ARG . 12.6 m0 -95.5 -168.61 1.81 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.5 t -73.33 144.2 46.62 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 165.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -58.88 -36.99 75.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.88 0.371 . . . . 0.0 110.235 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.35 -40.78 97.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.115 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.509 ' HD2' ' HB3' ' A' ' 49' ' ' TRP . 27.9 ttm180 -65.58 -43.57 89.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.427 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.84 -48.32 82.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.48 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.9 -45.14 95.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.984 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.439 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 13.3 mm-40 -61.84 -33.41 74.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.606 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 33.0 mm-40 -65.59 -40.31 92.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.881 0.372 . . . . 0.0 110.374 175.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.473 HG13 HD12 ' A' ' 39' ' ' LEU . 48.2 t -65.08 -42.2 93.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.237 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -65.1 -41.3 95.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.734 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.97 -45.43 92.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.345 175.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.59 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 51.8 t80 -62.34 -49.66 74.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.809 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 m -62.87 -40.13 96.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.62 -178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.49 -27.64 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.506 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -88.37 10.85 18.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.11 0.481 . . . . 0.0 110.58 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 98.7 mt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.436 -0.793 . . . . 0.0 109.84 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.004 0.431 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.1 mm -75.75 -45.5 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.407 -175.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.93 -24.99 67.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.965 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.74 -40.63 95.19 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.784 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -131.46 35.75 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.807 -0.231 . . . . 0.0 110.451 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.666 ' CZ2' ' HB3' ' A' ' 32' ' ' ALA . 68.1 t-105 -48.9 -42.37 36.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -175.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -70.98 -29.27 65.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.869 0.366 . . . . 0.0 110.705 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -90.65 -37.12 13.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.151 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.48 -8.44 26.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.443 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 29' ' ' LEU . 27.5 p -48.2 -45.35 33.8 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.433 0.458 . . . . 0.0 111.407 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.523 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -70.5 -30.66 68.71 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.974 -178.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -81.79 -39.41 24.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.155 0.478 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.407 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 80.8 mt -65.72 -44.14 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.093 0.473 . . . . 0.0 110.311 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -69.05 -28.41 66.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.545 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.523 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 3.8 tp10 -72.21 -36.63 69.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.111 0.481 . . . . 0.0 110.111 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -62.31 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.601 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.407 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 24.1 m-90 -88.95 -52.11 5.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.963 0.411 . . . . 0.0 111.996 -174.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.86 -47.42 1.07 Allowed Glycine 0 C--N 1.313 -0.721 0 C-N-CA 120.875 -0.679 . . . . 0.0 113.165 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.44 -11.51 60.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 111.641 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.414 HD23 ' HG3' ' A' ' 46' ' ' ARG . 95.3 mt -83.61 98.08 9.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 174.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 t -76.9 160.35 29.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.666 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -60.91 -26.59 67.57 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.702 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.02 -48.09 82.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.023 0.44 . . . . 0.0 110.763 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.26 -41.42 81.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.799 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 14' ' ' THR . 63.8 mt -77.76 -16.61 58.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.813 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.95 -22.49 20.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.054 0.454 . . . . 0.0 110.578 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.32 -38.93 11.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -173.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.666 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . . . -68.4 170.9 8.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -170.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.88 -69.12 0.31 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.977 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.636 ' HA2' ' CD2' ' A' ' 10' ' ' TRP . . . 146.09 -38.52 1.18 Allowed Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.248 -0.977 . . . . 0.0 113.446 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 4.6 p80 -57.93 142.69 45.43 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 117.176 0.488 . . . . 0.0 111.105 -175.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -48.75 -42.18 34.55 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 3.5 mp0 -56.7 -29.83 62.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.627 0.251 . . . . 0.0 111.616 -176.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -82.43 -32.52 28.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.022 0.439 . . . . 0.0 109.845 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.8 tp -66.96 -37.43 84.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.711 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' HB3' ' A' ' 54' ' ' ALA . 79.5 t -55.72 -44.78 78.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.241 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.526 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -62.35 -36.93 93.78 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.326 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -64.26 -41.73 96.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.639 0.257 . . . . 0.0 110.977 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.38 -39.9 95.78 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.911 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.27 -29.01 68.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.968 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 13.0 mm-40 -78.85 -35.57 43.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.679 0.276 . . . . 0.0 111.033 177.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HG3' HD23 ' A' ' 24' ' ' LEU . 13.3 mmp_? -72.84 -57.76 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.398 . . . . 0.0 111.716 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -104.1 -18.7 14.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.06 -171.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.76 40.07 23.02 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.056 -1.068 . . . . 0.0 111.768 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.525 ' CZ3' ' HG2' ' A' ' 57' ' ' GLU . 50.9 m0 -83.01 158.74 22.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.853 0.358 . . . . 0.0 110.424 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.1 t -73.16 156.11 38.95 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -63.11 -39.48 94.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.492 0.187 . . . . 0.0 111.236 -175.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.73 -42.09 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.956 0.408 . . . . 0.0 110.725 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 34.4 ttm180 -67.41 -45.39 76.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.409 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -63.92 -37.86 88.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -58.52 -58.15 9.83 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.694 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.68 -31.7 71.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.617 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.525 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 3.8 tp10 -68.39 -41.04 81.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.781 0.324 . . . . 0.0 110.566 -178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 54' ' ' ALA . 93.9 t -64.3 -38.84 83.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.158 175.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 17.9 mtp180 -65.98 -40.07 90.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.688 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.7 t70 -54.22 -42.07 69.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 110.232 176.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -69.21 -46.29 67.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.283 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.8 m -70.3 -27.7 64.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.047 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.45 1.02 50.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 111.01 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 50.7 mtt-85 -110.95 11.34 22.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.298 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.346 179.466 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 CA--C 1.531 0.213 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -69.62 -27.11 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.743 -175.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -58.78 -46.54 87.28 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.46 7.5 63.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.159 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 89.7 mttt -130.17 16.24 5.61 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.64 -0.329 . . . . 0.0 110.999 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.463 ' HE1' ' HA ' ' A' ' 31' ' ' ALA . 61.0 t-105 -44.38 -61.1 1.64 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -173.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.722 ' HD2' ' HG2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -73.69 -4.35 33.86 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -173.801 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.722 ' HG2' ' HD2' ' A' ' 11' ' ' LYS . 18.5 mm-40 -98.4 -13.16 20.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.975 0.417 . . . . 0.0 109.886 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 87.7 mt -106.2 -17.13 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.997 -173.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.1 p -49.63 -39.76 36.95 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.12 -41.41 98.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.849 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -84.77 -27.41 26.9 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 13' ' ' LEU . 63.4 mt -60.45 -46.84 94.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.765 174.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HB2' HD11 ' A' ' 29' ' ' LEU . 84.2 tttt -66.31 -31.28 71.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -80.4 -24.37 39.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.855 0.36 . . . . 0.0 110.532 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -69.41 -57.71 4.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.062 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.4 ' HZ3' HG23 ' A' ' 17' ' ' ILE . 6.4 m-90 -95.9 -18.07 20.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.755 -175.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.4 -70.45 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.408 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 33.2 t70 -85.23 64.98 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.743 0.782 . . . . 0.0 110.577 -173.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.3 mt -121.72 118.37 28.93 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.364 174.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.0 m -74.69 153.78 38.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.469 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -58.41 -30.08 66.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.705 0.288 . . . . 0.0 110.697 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.97 -41.45 82.96 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.099 0.476 . . . . 0.0 110.997 172.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.723 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 65.6 m-20 -73.72 -19.46 60.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.901 -178.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 18' ' ' LYS . 43.2 mt -102.77 2.68 35.94 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.478 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -62.9 112.13 2.44 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.157 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . . . -72.46 99.66 2.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.408 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.64 -77.7 0.59 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.179 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.44 111.68 24.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.362 0.601 . . . . 0.0 109.573 172.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.16 107.57 3.09 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.791 -0.64 . . . . 0.0 113.611 -172.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.414 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 1.4 p80 -166.64 159.54 14.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.39 73.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 0.0 111.761 -173.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 37' ' ' GLU . 1.9 mp0 -60.72 -30.61 70.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.674 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.414 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.3 t80 -68.0 -39.43 83.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 49.8 tp -61.28 -52.12 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.032 174.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.04 -48.52 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.974 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.11 -38.05 92.52 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.933 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.723 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 15.4 mttm -85.06 -18.47 34.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.459 -0.436 . . . . 0.0 111.809 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 83.9 mt -67.32 -30.51 70.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 170.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.476 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 86.2 mt-30 -81.88 -25.72 34.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.872 174.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 42' ' ' LYS . 5.5 tp10 -67.24 -58.89 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.492 176.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 24.4 tpt180 -75.16 -53.6 8.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.422 -175.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -91.75 -65.39 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.038 0.447 . . . . 0.0 110.92 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 105.72 47.65 1.09 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.549 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -83.13 170.41 14.8 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 152.28 41.98 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 62.8 tttm -52.1 -48.65 64.64 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.196 0.31 . . . . 0.0 111.614 -175.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 1.4 pm0 -69.47 -28.06 65.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.298 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -77.09 -35.91 56.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.35 -42.81 87.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.854 175.182 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.421 ' OE2' ' HG2' ' A' ' 51' ' ' LYS . 48.1 mt-10 -57.39 -41.47 80.33 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.621 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.68 -49.05 79.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.342 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -58.54 -45.09 89.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.295 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 54' ' ' ALA . 83.0 t -58.13 -46.86 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.092 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -67.12 -39.5 86.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.845 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -64.77 -45.56 85.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.741 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -65.16 -39.27 92.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.455 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.5 t -63.13 -20.17 65.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -83.29 -40.45 19.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.052 0.454 . . . . 0.0 110.161 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -74.7 -9.6 58.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.699 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--O 1.245 0.852 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.962 176.205 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mm -57.29 -45.68 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.688 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -71.32 -28.32 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.341 -174.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.51 46.22 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.365 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . 60.5 mmtt -101.87 16.61 25.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.502 ' CZ2' ' HB3' ' A' ' 32' ' ' ALA . 75.8 t-105 -48.85 -50.39 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -170.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.02 -17.78 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.956 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -98.54 -31.01 12.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.033 0.444 . . . . 0.0 110.26 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.494 ' HG ' ' HB2' ' A' ' 9' ' ' LYS . 64.9 mt -77.28 -16.33 59.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.735 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.559 HG22 ' HB3' ' A' ' 29' ' ' LEU . 3.9 p -55.75 -36.63 67.51 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.14 -27.35 68.55 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.568 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -86.26 -30.09 22.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 13' ' ' LEU . 85.3 mt -64.69 -42.56 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 173.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 57.6 tttm -70.1 -19.97 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.236 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -75.86 -42.86 48.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.833 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -45.28 52.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.854 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.441 ' CE3' HG23 ' A' ' 17' ' ' ILE . 5.1 m-90 -120.14 102.71 8.7 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.16 -5.24 89.75 Favored Glycine 0 N--CA 1.452 -0.246 0 N-CA-C 114.811 0.684 . . . . 0.0 114.811 -168.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -92.88 -11.08 34.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.894 0.847 . . . . 0.0 110.717 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 81.3 mt -82.04 117.65 22.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.968 176.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.0 p -84.03 166.38 17.79 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.208 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 p30 -67.19 -24.89 65.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.205 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.3 -33.89 70.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.665 0.269 . . . . 0.0 110.907 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -70.39 -30.34 67.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.109 0.48 . . . . 0.0 110.335 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.559 ' HB3' HG22 ' A' ' 14' ' ' THR . 66.0 mt -95.75 -48.7 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.608 -175.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.444 ' HG2' HG21 ' A' ' 14' ' ' THR . 93.7 mt-30 -78.84 59.64 2.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.05 0.452 . . . . 0.0 110.181 -177.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.72 22.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.606 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.502 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . . . -132.37 171.85 13.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -168.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.29 -56.04 17.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.495 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.27 -27.64 6.03 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.192 -1.004 . . . . 0.0 114.019 174.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 19.3 p-80 -68.19 158.65 32.77 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 117.868 0.834 . . . . 0.0 111.325 -174.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.56 -44.29 56.61 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -166.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.439 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 34.0 mm-40 -60.06 -26.89 66.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -74.42 -31.87 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.606 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.5 mp -62.12 -44.67 96.13 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 174.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.575 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 46.5 t -56.09 -44.25 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.275 177.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.84 -47.98 88.54 Favored Glycine 0 C--O 1.227 -0.333 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.053 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -60.64 -35.77 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 95.5 mt -68.84 -28.71 66.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.874 0.369 . . . . 0.0 110.646 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 8.1 mm-40 -79.6 -46.23 17.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.137 0.494 . . . . 0.0 110.044 175.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.29 -48.33 82.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.44 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -81.32 -46.36 14.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.238 -174.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.412 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 89.1 m-85 -102.88 -76.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.867 0.365 . . . . 0.0 110.998 -176.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.8 73.45 0.53 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.724 -175.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -114.91 -168.69 1.42 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -87.67 155.15 20.07 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 169.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HG3' HG11 ' A' ' 40' ' ' VAL . 55.9 tttm -67.02 -31.8 72.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -55.02 -53.94 49.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.0 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 53' ' ' ARG . 15.5 ttm-85 -67.25 -45.5 76.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.495 -177.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.25 -46.18 83.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.216 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 38.0 mt-10 -67.46 -37.73 83.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.618 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -58.3 -43.48 88.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.686 0.279 . . . . 0.0 110.527 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.69 84.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.754 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 54' ' ' ALA . 99.1 t -66.05 -41.11 89.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.443 175.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 31.9 mmt180 -58.37 -44.04 88.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.822 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.77 -42.24 88.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.224 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.54 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 52.6 t80 -64.62 -50.99 64.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.88 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.2 m -62.54 -31.27 72.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.959 0.409 . . . . 0.0 110.802 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.75 -43.43 93.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.005 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.51 17.72 3.09 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 76.3 mt . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.328 -0.844 . . . . 0.0 109.847 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.876 0.37 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.5 mt -90.36 -26.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.973 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -55.15 -31.57 61.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.356 174.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.55 138.75 14.58 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.406 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.626 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 98.5 mttt 65.09 20.63 12.08 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 122.788 0.435 . . . . 0.0 110.692 -175.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.487 ' CD2' ' HA3' ' A' ' 34' ' ' GLY . 67.4 t-105 -56.76 -41.65 77.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.656 -177.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -8.24 55.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 111.476 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -98.82 -35.88 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.109 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 79.9 mt -76.31 -9.12 58.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.654 -175.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.0 p -53.23 -38.35 62.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.468 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.17 -42.67 99.73 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.137 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -64.15 -42.92 96.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 0.0 110.626 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 13' ' ' LEU . 63.9 mt -65.52 -50.61 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.212 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -64.34 -24.91 67.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.023 0.44 . . . . 0.0 110.507 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.42 -36.62 71.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -82.74 -57.42 3.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.95 0.405 . . . . 0.0 110.465 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -107.46 99.34 8.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.16 -177.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.02 -14.65 71.07 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.416 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 27.2 t70 -83.27 -22.4 33.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.288 0.544 . . . . 0.0 110.387 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 46' ' ' ARG . 43.5 mt -76.42 107.76 8.91 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.147 0.499 . . . . 0.0 109.782 175.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.4 p -78.78 158.47 28.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.849 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -73.28 -12.64 60.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.88 -42.51 81.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.847 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -65.15 -39.76 93.45 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.004 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.1 mt -74.87 -43.05 56.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.047 -176.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -77.55 -4.78 47.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.24 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.58 -62.89 1.27 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -175.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.28 -84.32 0.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -135.17 148.35 49.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.051 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA3' ' CD2' ' A' ' 10' ' ' TRP . . . -120.18 145.01 17.54 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.684 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.551 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 8.0 p80 -175.32 166.84 3.38 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.21 -55.8 2.56 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.791 0.682 . . . . 0.0 112.8 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 20.4 mp0 -60.5 -31.32 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.779 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -75.42 -37.49 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.617 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 8.7 mp -59.26 -51.13 71.28 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.5 t -53.65 -45.64 60.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.675 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.16 -52.72 50.8 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.596 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -67.44 -30.08 69.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 74.1 mt -66.43 -37.17 84.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.56 0.219 . . . . 0.0 110.48 176.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -76.69 -29.96 56.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.69 -56.47 5.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.269 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -71.4 -57.43 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.343 -176.595 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 68.2 m-85 -90.24 -60.18 2.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.975 0.417 . . . . 0.0 111.043 -177.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.22 49.8 1.67 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.894 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.467 ' HB3' ' HD2' ' A' ' 53' ' ' ARG . 8.8 m0 -86.52 177.43 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -71.73 149.77 45.1 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 88.0 tttt -56.86 -43.7 81.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.557 0.218 . . . . 0.0 110.903 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.82 -47.27 83.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.53 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HD2' ' HB3' ' A' ' 49' ' ' TRP . 18.0 ttm180 -61.25 -41.48 96.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.185 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.13 -47.33 86.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.768 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 44.5 mt-10 -55.73 -45.44 77.97 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.799 177.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -46.42 88.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.619 178.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.8 -38.51 91.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.375 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 54' ' ' ALA . 75.0 t -62.29 -48.02 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 0.0 110.802 177.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -65.85 -40.08 91.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.522 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.65 -35.07 75.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.498 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.46 ' CE2' HD21 ' A' ' 65' ' ' LEU . 87.1 t80 -75.77 -43.21 47.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.755 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.533 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 23.2 t -60.0 -30.5 69.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.032 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -61.86 -31.66 71.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.079 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.1 mpt_? -99.45 18.28 18.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -176.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.537 HD22 HD22 ' A' ' 13' ' ' LEU . 82.1 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.438 -0.792 . . . . 0.0 109.439 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.673 HG23 HG13 ' A' ' 6' ' ' ILE . 15.5 m . . . . . 0 C--O 1.232 0.149 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.673 HG13 HG23 ' A' ' 5' ' ' VAL . 14.6 mt -89.85 -33.47 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.978 0.418 . . . . 0.0 110.86 -175.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -79.54 -41.59 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.287 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.29 -29.03 60.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.223 -175.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -120.47 31.93 6.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.318 0.58 . . . . 0.0 110.561 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -50.78 -48.53 59.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.03 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -68.3 -25.54 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.917 0.389 . . . . 0.0 111.068 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -83.16 -29.13 28.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.047 0.451 . . . . 0.0 110.532 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 17' ' ' ILE . 87.8 mt -84.42 -5.95 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.798 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 29' ' ' LEU . 18.0 p -47.02 -54.85 9.3 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -176.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.43 -42.8 99.85 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.252 -0.499 . . . . 0.0 112.92 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -66.7 -39.42 88.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.784 0.326 . . . . 0.0 111.224 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.466 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 84.9 mt -65.58 -46.58 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.813 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 48.0 tttm -69.78 -19.55 63.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.079 0.466 . . . . 0.0 110.606 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -78.07 -25.93 47.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.271 0.558 . . . . 0.0 109.979 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 20' ' ' ARG . 22.0 ttt180 -85.2 -52.51 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.466 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 3.1 m-90 -112.24 94.53 4.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.363 178.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.05 -24.65 75.81 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.555 -0.748 . . . . 0.0 113.773 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.504 ' OD2' ' HG3' ' A' ' 46' ' ' ARG . 38.3 t70 -72.43 -27.67 62.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.972 0.386 . . . . 0.0 111.182 -175.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.676 HD13 HD21 ' A' ' 29' ' ' LEU . 95.3 mt -64.54 120.2 11.9 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 175.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 p -79.41 169.0 18.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.168 0.509 . . . . 0.0 111.726 -174.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -69.41 -11.52 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.043 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -85.85 -50.23 7.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.926 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -57.42 -42.71 82.88 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.667 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.676 HD21 HD13 ' A' ' 24' ' ' LEU . 86.8 mt -85.67 14.05 6.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.756 -175.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -141.23 18.03 2.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.242 0.544 . . . . 0.0 110.279 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.9 -85.51 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.777 -176.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.14 -95.96 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -145.19 -171.55 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.79 37.06 2.69 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.271 -0.966 . . . . 0.0 114.096 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 19.7 p-80 -77.54 147.15 35.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -40.64 26.33 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -168.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.568 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 57.9 mm-40 -57.78 -34.27 69.41 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -71.76 -41.74 68.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.413 -177.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 44.2 mt -59.16 -53.35 59.3 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.265 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 54' ' ' ALA . 90.3 t -52.81 -45.85 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.572 0.545 . . . . 0.0 110.828 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.45 -48.74 83.25 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.414 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -67.53 -30.87 70.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.576 0.226 . . . . 0.0 111.594 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 77.9 mt -70.86 -39.33 72.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.695 0.283 . . . . 0.0 110.734 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 24.7 mt-30 -72.76 -26.37 61.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.02 0.438 . . . . 0.0 110.193 175.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.98 -55.91 4.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.981 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -72.32 -57.45 4.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.204 -174.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -84.22 -52.03 6.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.916 0.389 . . . . 0.0 110.951 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 103.07 38.7 2.82 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.887 -178.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 53' ' ' ARG . 46.1 m0 -83.3 169.85 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.728 0.299 . . . . 0.0 110.316 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.8 p -81.75 165.59 20.8 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -59.99 -43.31 95.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.261 -176.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.582 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 1.3 mp0 -64.6 -42.52 95.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.601 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' TRP . 56.7 ttm-85 -65.2 -39.66 93.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.41 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.471 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -64.48 -44.62 90.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.189 177.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -54.84 -45.04 74.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.014 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -58.97 -51.55 69.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.783 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -62.17 -47.63 83.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.26 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.49 -44.34 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.144 0.497 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttm105 -68.82 -39.62 79.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.189 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 34.2 t70 -70.67 -28.49 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.804 178.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -73.03 -43.77 61.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.361 . . . . 0.0 110.065 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 t -64.65 -20.89 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.532 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' ASP . 11.6 t70 -64.24 -28.7 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.466 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -102.38 9.32 39.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.118 0.485 . . . . 0.0 111.134 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.166 -178.12 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.873 0.368 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -113.75 108.01 16.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -151.3 126.97 10.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.934 ' HB3' ' HE3' ' A' ' 7' ' ' LYS . 17.2 t0 -83.52 90.4 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.4 m -85.51 -5.34 9.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.392 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -74.22 -43.5 50.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.187 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.934 ' HE3' ' HB3' ' A' ' 4' ' ' ASP . 21.5 pttp -63.88 -26.56 68.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.59 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.3 -51.76 9.54 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.363 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 73.5 mmtt -100.52 29.19 4.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.527 0.203 . . . . 0.0 110.621 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.626 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 62.3 t-105 -55.59 -56.31 21.84 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -170.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -70.51 -6.93 39.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.198 0.523 . . . . 0.0 111.019 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.51 -39.2 9.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.637 175.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 93.7 mt -76.78 -16.86 59.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.663 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 10' ' ' TRP . 8.3 p -47.63 -50.23 25.03 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.363 0.415 . . . . 0.0 111.789 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.76 -36.68 93.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.548 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -73.88 -30.1 62.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.921 0.391 . . . . 0.0 110.641 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 13' ' ' LEU . 79.4 mt -72.03 -41.74 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.288 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.775 ' HD2' ' HB2' ' A' ' 26' ' ' ASP . 85.8 tttt -63.12 -31.93 73.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.368 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.45 -43.07 61.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.118 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -65.17 -47.27 77.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.355 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -120.76 100.73 7.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.981 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.68 -25.85 71.81 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.981 -0.554 . . . . 0.0 113.442 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.522 ' OD2' ' HB3' ' A' ' 46' ' ' ARG . 33.8 t70 -72.39 -20.34 61.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 111.343 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 mt -78.1 126.93 31.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.247 0.546 . . . . 0.0 110.82 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.433 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 5.7 m -79.81 127.37 32.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.679 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.775 ' HB2' ' HD2' ' A' ' 18' ' ' LYS . 19.1 t70 -56.7 -43.7 80.78 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.963 0.411 . . . . 0.0 110.924 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.95 -36.35 72.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.148 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.78 -36.76 67.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 25' ' ' THR . 72.5 mt -68.96 -47.55 65.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.957 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -75.51 46.47 0.35 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.27 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.83 -91.21 0.32 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.96 -79.64 0.33 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.478 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 4.6 m-20 -51.78 -48.61 63.71 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -168.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.626 ' HA2' ' CE2' ' A' ' 10' ' ' TRP . . . 77.85 -59.58 3.83 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.814 -0.708 . . . . 0.0 114.547 172.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.468 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 24.1 p-80 -50.58 165.11 0.11 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -174.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.58 ' HA ' HD13 ' A' ' 39' ' ' LEU . . . -44.98 -43.03 8.76 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -170.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 11.5 mm-40 -61.5 -20.25 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CD1' ' HB2' ' A' ' 33' ' ' ASP . 43.7 t80 -81.34 -32.93 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.58 HD13 ' HA ' ' A' ' 36' ' ' ALA . 7.4 mp -61.33 -47.31 86.48 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.556 HG11 ' HG3' ' A' ' 51' ' ' LYS . 90.1 t -55.66 -44.97 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.365 177.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.15 -44.83 96.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.59 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -72.75 -32.73 65.87 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.743 -0.269 . . . . 0.0 111.458 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 92.9 mt -65.48 -34.2 77.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 110.099 175.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 14.5 mm100 -74.2 -40.12 62.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.266 175.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.77 -49.16 69.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.793 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.522 ' HB3' ' OD2' ' A' ' 23' ' ' ASP . 18.2 mmm180 -77.62 -65.08 1.01 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.437 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -80.4 -74.01 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.944 0.402 . . . . 0.0 110.763 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.14 66.18 0.65 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.591 -175.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -103.17 -168.6 1.53 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.6 p -86.31 148.65 25.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 164.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.556 ' HG3' HG11 ' A' ' 40' ' ' VAL . 82.3 tttt -59.0 -36.67 75.32 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.854 -177.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.0 -40.64 96.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.001 0.429 . . . . 0.0 110.842 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 71.1 ttt180 -67.43 -40.09 85.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.908 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.44 -46.69 87.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.365 176.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 47.7 mt-10 -52.82 -46.12 67.58 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -60.18 -44.73 94.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.128 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 10.4 mm-40 -72.4 -35.07 68.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 54' ' ' ALA . 73.6 t -64.29 -44.0 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 110.719 176.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 59' ' ' ARG . 69.5 mtm-85 -71.65 -23.59 61.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.763 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 57' ' ' GLU . 9.8 t70 -63.39 -45.89 88.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.891 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 90.0 t80 -65.25 -36.15 83.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.161 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.6 m -64.98 -31.07 72.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.595 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.81 -28.4 65.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.363 0.602 . . . . 0.0 110.051 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -79.54 -8.36 59.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.77 -179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 81.6 mt . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.59 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -84.49 149.16 26.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.143 0.497 . . . . 0.0 111.478 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p -162.61 103.73 1.06 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.673 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -86.14 153.97 21.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.502 -175.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 m -109.75 -19.14 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.533 -178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.08 -43.04 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.152 0.501 . . . . 0.0 109.987 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -53.34 -33.79 54.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.491 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.95 -45.7 4.73 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.773 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HD2' ' OE1' ' A' ' 12' ' ' GLN . 33.9 mmtp -93.0 30.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.514 -0.403 . . . . 0.0 110.703 -176.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -51.2 -59.79 3.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.645 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -67.33 -24.89 65.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.262 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.436 ' OE1' ' HD2' ' A' ' 9' ' ' LYS . 51.9 mt-30 -75.43 -37.96 60.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.146 0.498 . . . . 0.0 110.03 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.26 3.28 36.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.072 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.2 p -54.37 -51.94 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.069 0.461 . . . . 0.0 111.332 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.98 -25.73 75.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.454 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 48.5 tptt -77.15 -40.08 46.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.034 0.445 . . . . 0.0 110.116 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.5 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 87.7 mt -64.49 -37.46 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.773 174.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 29.3 ttpp -67.2 -22.12 65.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.579 176.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -86.12 -41.96 14.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.95 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 20' ' ' ARG . 15.1 tpt180 -61.63 -51.39 68.69 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.31 -176.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.5 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 12.0 m-90 -92.85 -42.85 9.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.865 0.364 . . . . 0.0 111.161 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 18' ' ' LYS . . . 100.42 -50.78 1.05 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.123 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.83 -8.71 59.56 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -173.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 24' ' ' LEU . 48.0 mt -78.93 108.52 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.025 0.44 . . . . 0.0 110.607 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 1.2 p -68.44 124.94 24.93 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.768 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 9.1 p-10 -64.72 -23.79 67.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.822 -177.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.89 -38.61 82.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.381 0.61 . . . . 0.0 109.704 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.533 ' O ' ' HE2' ' A' ' 42' ' ' LYS . 6.5 m-20 -86.55 -11.84 50.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.569 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 25' ' ' THR . 97.0 mt -89.15 -28.74 19.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.698 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 26' ' ' ASP . 55.6 mt-30 -67.35 97.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.5 -164.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.692 -172.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.13 -76.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.215 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -92.32 154.43 18.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.844 0.354 . . . . 0.0 111.797 -176.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -113.04 8.58 25.22 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.914 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.14 146.69 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.579 0.228 . . . . 0.0 111.071 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 39' ' ' LEU . . . -53.09 -32.05 45.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.337 -174.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.49 -23.12 64.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -77.1 -38.35 52.45 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.972 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 36' ' ' ALA . 7.0 mp -58.99 -43.44 91.43 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.618 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 92.6 t -54.42 -46.26 70.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.533 176.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.73 -45.3 95.02 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.711 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.533 ' HE2' ' O ' ' A' ' 28' ' ' ASP . 40.1 mmtm -73.99 -30.41 62.47 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.683 -0.304 . . . . 0.0 111.464 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 86.4 mt -64.73 -35.99 82.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.228 174.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 13.1 mm100 -71.58 -35.22 70.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.123 0.487 . . . . 0.0 109.909 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.96 -39.42 87.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.877 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -87.57 -59.97 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -91.66 -71.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.958 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.34 75.44 1.07 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -173.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -106.12 -168.83 1.49 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.973 0.416 . . . . 0.0 110.234 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -80.63 150.0 29.63 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 170.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.548 ' HD2' HG11 ' A' ' 40' ' ' VAL . 29.2 tptp -50.87 -50.82 56.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 0.0 110.9 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 31.0 tt0 -69.47 -35.5 75.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.15 99.24 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.82 -41.8 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.331 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -60.27 -45.01 94.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.904 177.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 27.8 mt-30 -58.24 -37.7 75.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.988 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.03 -35.7 69.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.516 HG13 HD22 ' A' ' 39' ' ' LEU . 58.0 t -68.2 -36.6 75.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.519 0.676 . . . . 0.0 109.593 174.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 59' ' ' ARG . 21.2 ttt85 -64.62 -37.81 88.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.761 176.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.49 ' CG ' HH22 ' A' ' 64' ' ' ARG . 13.1 t70 -58.55 -46.72 86.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.305 175.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.77 -30.53 70.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.075 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.2 m -73.84 -25.63 60.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.253 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -72.14 -32.85 67.29 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.13 0.491 . . . . 0.0 110.96 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.49 HH22 ' CG ' ' A' ' 60' ' ' ASP . 7.1 mtm180 -125.19 36.79 4.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.272 -177.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.296 -0.859 . . . . 0.0 108.777 176.819 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.507 0.194 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -87.55 69.03 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.731 0.777 . . . . 0.0 109.33 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -118.69 41.49 2.99 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.39 132.56 47.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.723 -171.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.66 2.03 8.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.868 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.6 mm -91.9 -37.07 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 110.455 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.522 ' HG2' ' HB3' ' A' ' 35' ' ' HIS . 37.5 mtmm -72.95 -16.36 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.24 131.3 10.58 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.64 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 67.02 28.82 8.31 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.401 ' HZ3' HD11 ' A' ' 39' ' ' LEU . 42.6 t-105 -47.99 -48.72 32.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.263 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -74.14 -4.65 37.06 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.733 -0.387 . . . . 0.0 112.016 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -98.5 -17.31 18.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.542 0.686 . . . . 0.0 109.66 174.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.48 -4.75 57.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.211 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -56.65 -53.99 51.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.381 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.24 -27.07 71.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.183 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 61' ' ' PHE . 45.1 tptt -73.12 -39.97 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.985 0.422 . . . . 0.0 110.583 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.433 HG23 ' CE3' ' A' ' 21' ' ' TRP . 79.0 mt -70.81 -44.15 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.147 0.499 . . . . 0.0 110.333 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.89 -35.52 76.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.235 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.05 -34.95 72.52 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.003 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -84.69 -68.35 0.73 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.763 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.472 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 4.4 m-90 -82.26 -24.83 34.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -169.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.15 -58.7 3.98 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.86 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.13 -31.0 72.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.949 0.374 . . . . 0.0 111.045 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.44 HD11 ' CD2' ' A' ' 43' ' ' LEU . 42.5 mt -67.02 111.26 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 44.6 p -79.04 149.57 32.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.307 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -68.43 -18.34 64.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.32 -51.26 69.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.298 172.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -62.26 -40.69 97.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.128 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 25' ' ' THR . 66.7 mt -73.47 -21.54 60.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.118 -176.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -87.49 20.07 3.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.507 0.67 . . . . 0.0 110.433 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.52 -76.69 0.56 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.472 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.34 -165.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -168.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -69.19 0.2 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.495 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.58 110.26 2.23 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.557 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.532 ' ND1' ' HB3' ' A' ' 37' ' ' GLU . 1.9 p80 -173.63 157.57 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HA ' HD13 ' A' ' 39' ' ' LEU . . . -54.23 -37.64 64.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.301 0.572 . . . . 0.0 111.227 -174.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.532 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 36.2 tt0 -60.47 -33.52 72.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.026 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.484 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 77.6 t80 -74.49 -32.27 62.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.221 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 10.7 mp -59.7 -45.93 90.63 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.302 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 55' ' ' GLU . 46.8 t -56.5 -45.11 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.326 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.95 -45.46 95.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.219 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -60.78 -41.25 95.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.693 0.283 . . . . 0.0 111.061 178.01 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 93.4 mt -65.43 -35.93 82.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 13.4 mm-40 -75.12 -38.27 61.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.042 0.449 . . . . 0.0 110.609 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.04 -44.18 77.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.047 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.705 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -83.25 -58.21 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.408 -179.341 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -86.29 -67.22 0.83 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.169 0.509 . . . . 0.0 111.423 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.45 53.77 1.79 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.472 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 20.5 m0 -82.92 179.84 7.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 110.902 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.423 ' HB3' ' OE1' ' A' ' 52' ' ' GLU . 17.3 m -66.55 143.56 56.97 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 168.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -62.1 -42.78 99.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -169.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' OE1' ' HB3' ' A' ' 50' ' ' SER . 0.4 OUTLIER -72.04 -29.43 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.531 -177.825 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ttm-85 -65.92 -48.11 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.515 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.54 -50.72 72.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.7 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' HG2' HG21 ' A' ' 40' ' ' VAL . 42.7 mt-10 -64.24 -43.25 95.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.919 -178.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.36 -40.81 95.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.261 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.5 -33.1 74.93 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.899 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 54' ' ' ALA . 98.9 t -64.38 -45.17 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.421 . . . . 0.0 110.035 174.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -61.89 -42.96 99.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.855 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.9 -43.3 99.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.464 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 87.2 t80 -57.33 -46.26 83.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.604 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -68.89 -29.57 67.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.16 -37.8 84.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.984 0.421 . . . . 0.0 110.853 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -91.29 14.0 15.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.317 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.599 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.783 0.325 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -108.95 170.29 8.14 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -81.48 20.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.021 0.438 . . . . 0.0 111.037 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -78.6 2.21 20.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.155 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.4 m -72.56 -17.35 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.0 mm -78.09 -20.42 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.457 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -70.03 -24.04 63.21 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.499 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.9 140.56 15.48 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.653 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.8 mttp 69.88 17.11 7.61 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.008 0.523 . . . . 0.0 110.639 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.509 ' O ' HG23 ' A' ' 14' ' ' THR . 60.2 t-105 -50.47 -41.84 53.64 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.579 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -54.84 -39.34 68.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.6 tm0? -86.91 -35.45 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.991 -177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 87.8 mt -61.19 -26.31 67.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.862 -177.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.536 HG21 ' HB2' ' A' ' 30' ' ' GLN . 42.9 p -50.34 -39.93 47.67 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.746 0.308 . . . . 0.0 111.691 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.95 -39.65 98.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.54 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.95 -29.65 58.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.904 0.383 . . . . 0.0 110.688 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 13' ' ' LEU . 70.5 mt -67.15 -42.54 88.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.32 0.581 . . . . 0.0 109.749 174.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD2' ' HA2' ' A' ' 22' ' ' GLY . 21.0 tptm -65.03 -38.35 90.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.926 174.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.3 -43.07 82.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.847 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 20' ' ' ARG . 10.7 mmm-85 -71.18 -69.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.975 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.441 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . 15.5 m-90 -85.47 -44.6 12.59 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -168.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' HA2' ' HD2' ' A' ' 18' ' ' LYS . . . 85.04 -43.87 3.31 Favored Glycine 0 C--N 1.313 -0.722 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.296 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 6.5 m-20 -67.75 -23.28 65.22 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.914 0.357 . . . . 0.0 111.008 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.9 mt -74.6 109.53 8.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.226 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.729 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -57.71 128.99 39.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.225 175.698 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.74 -30.91 69.64 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.244 -0.285 . . . . 0.0 110.864 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -69.88 -22.6 63.22 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.037 0.446 . . . . 0.0 110.301 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.729 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 2.4 t70 -78.93 -41.1 30.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.644 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -74.03 -48.83 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.069 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.536 ' HB2' HG21 ' A' ' 14' ' ' THR . 10.4 tt0 -79.99 87.42 5.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.24 0.543 . . . . 0.0 109.739 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.73 -66.44 0.13 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.18 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.37 -153.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.94 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.35 -70.04 0.16 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.275 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.15 -20.51 3.77 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.802 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -46.91 142.3 3.54 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.557 0.178 . . . . 0.0 111.018 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.27 -32.88 57.34 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -170.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 37' ' ' GLU . 2.0 mp0 -57.67 -28.59 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -75.03 -38.27 61.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.46 -42.94 98.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.573 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.514 HG13 ' HB3' ' A' ' 54' ' ' ALA . 88.6 t -56.94 -46.25 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.459 175.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.78 -45.1 97.12 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.648 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.486 ' HD2' ' OD2' ' A' ' 28' ' ' ASP . 27.7 mmtp -69.61 -29.84 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.717 -0.284 . . . . 0.0 111.368 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.91 -37.78 86.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.046 0.451 . . . . 0.0 109.962 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.573 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 46.9 mt-30 -76.07 -14.92 60.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.195 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -90.96 -53.42 4.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.625 0.25 . . . . 0.0 110.898 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -73.98 -49.21 25.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 111.051 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.441 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 59.3 m-85 -92.17 -34.52 14.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.012 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.573 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 78.38 39.62 21.89 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.247 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -83.16 173.52 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 111.141 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.87 156.08 40.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.463 173.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 14.9 tmtt? -61.29 -51.83 67.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.744 0.307 . . . . 0.0 110.96 -175.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.77 -32.38 70.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 110.416 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 19.8 ttm180 -60.36 -46.67 89.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.232 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -61.79 -39.01 90.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.739 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 46.7 mt-10 -58.56 -46.67 86.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -61.25 -38.54 87.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.265 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 9.7 mm-40 -66.17 -42.05 89.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.698 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 54' ' ' ALA . 68.4 t -65.01 -32.6 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.18 0.514 . . . . 0.0 110.335 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 59' ' ' ARG . 22.1 ttm180 -64.03 -40.71 96.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.273 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.13 -42.68 99.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.303 0.573 . . . . 0.0 110.061 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.538 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 77.9 t80 -63.67 -46.26 86.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.782 178.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 65' ' ' LEU . 25.6 m -68.42 -29.7 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.589 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.56 -46.51 88.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.947 0.404 . . . . 0.0 111.184 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -87.84 16.06 6.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.699 -175.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 88.1 mt . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.563 172.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -129.46 -176.69 3.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.028 -177.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 m -79.49 -49.84 11.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 0.0 110.165 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -126.9 135.46 50.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 m -126.58 12.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.999 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 36' ' ' ALA . 43.0 mt -91.84 -17.08 7.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 121.378 0.609 . . . . 0.0 110.613 -176.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 35' ' ' HIS . 4.2 ttpm? -67.01 -11.83 58.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.419 0.628 . . . . 0.0 110.087 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.6 177.87 21.44 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.8 mptp? 60.91 15.86 6.41 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.294 0.547 . . . . 0.0 111.407 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 33.7 t-105 -54.72 -41.53 70.45 Favored 'General case' 0 C--N 1.333 -0.121 0 O-C-N 123.166 0.291 . . . . 0.0 111.42 -174.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -61.99 -23.84 66.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.832 0.349 . . . . 0.0 111.347 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -92.81 -25.65 18.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.893 0.378 . . . . 0.0 110.637 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 17' ' ' ILE . 87.8 mt -82.34 -38.44 24.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.597 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 10' ' ' TRP . 1.7 t -50.84 -39.21 52.8 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.02 -35.69 91.8 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.038 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 41.8 tttm -89.45 -18.86 25.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.129 0.49 . . . . 0.0 110.382 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 13' ' ' LEU . 83.5 mt -69.48 -43.72 80.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.9 -28.12 68.7 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.944 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 26.3 tt0 -62.59 -48.11 80.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.972 174.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 20' ' ' ARG . 21.6 ttt180 -70.88 -67.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.424 ' CE3' HG23 ' A' ' 17' ' ' ILE . 13.2 m-90 -89.83 99.19 12.24 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.46 -1.45 29.18 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 113.94 -173.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 28.7 t70 -102.67 -11.63 18.27 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.247 -0.561 . . . . 0.0 110.546 179.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD11 ' CD2' ' A' ' 43' ' ' LEU . 49.4 mt -83.71 99.06 10.0 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.08 150.84 30.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.198 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.03 -8.94 53.35 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.328 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.93 -35.23 76.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.481 0.658 . . . . 0.0 109.755 172.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.76 -31.99 16.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.224 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.66 10.11 8.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.768 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -63.12 122.59 16.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HB2' ' CD1' ' A' ' 10' ' ' TRP . . . -68.06 90.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -172.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.03 -47.47 8.9 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 168.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -137.56 97.94 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.246 -0.888 . . . . 0.0 108.964 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.54 108.75 3.07 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.987 -169.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 1.8 p80 -173.26 163.92 4.65 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.689 0.396 . . . . 0.0 110.125 173.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' HB2' ' HB ' ' A' ' 6' ' ' ILE . . . -63.66 -40.31 96.51 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -173.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.481 ' CD ' ' H ' ' A' ' 37' ' ' GLU . 1.8 mp0 -58.18 -29.96 66.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.816 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.486 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 66.0 t80 -69.78 -37.3 76.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.902 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 42.5 tp -62.89 -43.55 98.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.82 176.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.453 HG22 HG21 ' A' ' 58' ' ' VAL . 57.3 t -56.01 -46.86 80.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.128 176.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.34 -44.64 97.34 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.31 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 69.5 mmtt -67.34 -30.35 70.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.579 0.228 . . . . 0.0 111.498 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 93.5 mt -65.21 -32.84 74.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.959 0.409 . . . . 0.0 110.118 174.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -80.94 -24.68 37.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -80.12 -48.93 12.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.384 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -86.34 -49.02 7.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.767 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 23' ' ' ASP . 40.6 m-85 -87.49 -45.78 10.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.861 0.362 . . . . 0.0 110.738 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.55 38.36 5.89 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.045 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -83.19 163.72 20.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.11 0.481 . . . . 0.0 111.473 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.5 m -69.13 158.15 35.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.887 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -57.68 -54.02 51.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 -174.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.62 -40.05 92.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -177.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -59.63 -48.58 81.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.8 -48.14 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.08 -43.99 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.425 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 14.6 mm-40 -56.56 -36.81 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.558 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -82.47 -28.75 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.335 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 54' ' ' ALA . 75.9 t -64.13 -47.86 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.84 0.352 . . . . 0.0 110.283 174.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.503 ' HD2' ' OE1' ' A' ' 56' ' ' GLN . 4.4 ptp180 -72.77 -13.44 61.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -82.89 -32.02 27.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.293 0.568 . . . . 0.0 109.763 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.484 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 85.1 t80 -61.98 -41.93 98.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.017 175.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.527 ' HA ' HD12 ' A' ' 65' ' ' LEU . 30.3 m -69.55 -17.45 63.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.566 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.35 -31.43 63.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.597 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HD3' HH11 ' A' ' 64' ' ' ARG . 16.7 ttm180 -118.47 74.76 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.323 0.582 . . . . 0.0 110.378 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 62' ' ' SER . 54.0 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.908 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.888 0.375 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.46 85.92 7.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.176 0.512 . . . . 0.0 109.932 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -119.6 -29.69 5.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.334 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.498 ' OD2' ' HB2' ' A' ' 35' ' ' HIS . 14.8 t0 67.84 108.33 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.221 0.951 . . . . 0.0 111.212 177.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.8 m -85.93 -11.46 11.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.569 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mt -88.02 -19.43 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.577 0.703 . . . . 0.0 109.782 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HB2' ' HB3' ' A' ' 35' ' ' HIS . 61.7 tttp -67.0 -24.37 66.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.18 174.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.53 143.51 16.33 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.633 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 63.74 26.64 14.52 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 122.558 0.343 . . . . 0.0 111.504 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' THR . 71.4 t-105 -59.93 -30.34 68.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.032 0.444 . . . . 0.0 110.228 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -64.66 -23.28 67.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.615 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -98.8 -45.08 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.331 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 17' ' ' ILE . 74.8 mt -61.65 -25.26 67.27 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.47 -173.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.581 HG22 ' HB3' ' A' ' 29' ' ' LEU . 3.2 p -51.89 -42.1 62.45 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.129 0.268 . . . . 0.0 111.599 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.5 -42.52 98.92 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.2 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.44 -35.72 75.93 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.718 -0.283 . . . . 0.0 111.003 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.504 HD13 HD21 ' A' ' 39' ' ' LEU . 90.1 mt -65.31 -44.07 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.33 0.586 . . . . 0.0 109.875 176.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 58.0 tttm -61.58 -46.84 88.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.903 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.21 -15.62 59.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.758 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -68.71 -59.43 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.972 0.415 . . . . 0.0 110.596 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.419 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 12.3 m-90 -94.82 -32.65 13.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.735 -176.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.71 -48.44 1.1 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.51 -0.853 . . . . 0.0 114.105 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -83.83 -12.41 55.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 111.387 -174.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 93.7 mt -71.68 129.16 38.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.061 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.6 p -90.14 155.97 18.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.38 -36.62 84.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.062 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.5 -45.68 89.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.653 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -29.54 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.214 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HB3' HG22 ' A' ' 14' ' ' THR . 85.0 mt -85.95 -46.46 10.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.885 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -65.58 -10.05 32.0 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.44 69.44 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.21 -163.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -167.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -78.44 -45.14 22.95 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.419 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.91 -127.15 4.49 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.289 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.606 ' CD2' ' HB2' ' A' ' 37' ' ' GLU . 46.1 p-80 55.98 157.78 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.812 1.245 . . . . 0.0 113.56 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.73 -41.99 78.46 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -170.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.606 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 32.7 mm-40 -51.01 -37.64 46.35 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -73.7 -31.49 63.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.811 0.338 . . . . 0.0 110.482 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 76.2 mt -60.33 -48.44 81.75 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.87 176.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.5 t -54.19 -37.99 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.499 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.58 -57.41 12.84 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.234 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.551 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 10.6 mmpt? -61.47 -36.97 81.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.31 . . . . 0.0 111.601 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 96.2 mt -68.5 -33.76 74.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.107 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 82.6 mt-30 -81.34 -28.31 34.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.297 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -69.35 -59.57 2.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.133 0.492 . . . . 0.0 110.9 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -71.99 -48.8 42.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.299 -173.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -97.24 -70.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 107.48 49.65 0.85 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.956 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.419 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 5.7 m0 -84.31 164.76 18.8 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -59.6 149.29 30.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 173.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -40.46 80.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.641 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.95 -49.43 76.15 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.263 0.554 . . . . 0.0 110.151 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 53' ' ' ARG . 23.4 ttt180 -61.46 -35.94 79.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.943 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.42 -51.7 67.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.613 177.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.51 -42.48 78.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.051 0.453 . . . . 0.0 110.842 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -51.92 -53.88 35.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.099 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -68.48 -27.45 66.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.885 -176.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 54' ' ' ALA . 79.5 t -64.83 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.218 175.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -67.27 -38.08 84.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.31 -23.58 64.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.791 0.329 . . . . 0.0 110.73 178.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -69.02 -37.46 78.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.607 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 p -74.78 -2.69 27.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.765 0.316 . . . . 0.0 111.756 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.05 -50.86 9.14 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 172.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.466 ' HE ' ' C ' ' A' ' 64' ' ' ARG . 1.2 tpm_? -101.85 69.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.933 0.873 . . . . 0.0 108.986 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--O 1.247 0.946 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.652 178.671 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -126.51 -79.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.444 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 p -104.74 7.4 34.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.772 ' HB3' ' HE3' ' A' ' 7' ' ' LYS . 12.7 t0 68.68 117.05 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.91 0.756 . . . . 0.0 111.636 -177.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.9 m -90.05 -12.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.418 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.48 -22.16 26.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.159 0.504 . . . . 0.0 110.307 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.772 ' HE3' ' HB3' ' A' ' 4' ' ' ASP . 92.3 mttt -60.21 -33.33 72.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.949 176.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.8 -14.65 10.02 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.641 -175.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -107.84 12.13 27.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 117.093 0.447 . . . . 0.0 111.345 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.651 ' HE1' ' HA ' ' A' ' 30' ' ' GLN . 68.3 t-105 -51.27 -55.1 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.936 0.346 . . . . 0.0 111.936 -176.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.583 ' HA ' HG23 ' A' ' 14' ' ' THR . 52.1 tttp -73.18 -17.26 61.39 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.829 -176.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -78.64 -20.2 50.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.216 0.531 . . . . 0.0 109.955 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.511 ' HB3' HG13 ' A' ' 17' ' ' ILE . 95.9 mt -105.77 7.64 32.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.371 -174.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.583 HG23 ' HA ' ' A' ' 11' ' ' LYS . 3.4 p -58.36 -32.63 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.495 ' O ' ' HG2' ' A' ' 19' ' ' GLU . . . -93.17 -38.27 5.44 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.778 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -63.69 -44.12 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.929 0.491 . . . . 0.0 111.765 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.511 HG13 ' HB3' ' A' ' 13' ' ' LEU . 76.7 mt -62.06 -38.2 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.076 0.465 . . . . 0.0 110.661 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -68.34 -28.98 67.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.57 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 15' ' ' GLY . 32.5 mm-40 -77.18 -33.11 56.5 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.819 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.57 -43.65 89.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.586 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 11.8 m-90 -111.78 -93.53 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.285 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.33 -47.12 0.61 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 119.452 -1.356 . . . . 0.0 114.432 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.63 -22.29 60.97 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 117.276 0.538 . . . . 0.0 110.824 -173.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.459 HD23 ' HG2' ' A' ' 46' ' ' ARG . 89.8 mt -64.3 116.83 6.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.462 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.4 p -82.51 172.66 12.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 111.233 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -71.81 -20.04 61.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.04 -173.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -83.13 -28.78 29.19 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.504 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -76.75 -24.3 52.98 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 174.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.431 ' O ' HG22 ' A' ' 14' ' ' THR . 81.9 mt -93.04 20.29 6.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.023 176.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.651 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . 21.2 tp60 -142.52 -179.64 6.42 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.593 ' H ' ' HG3' ' A' ' 30' ' ' GLN . . . 59.09 43.7 17.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.41 0.624 . . . . 0.0 110.074 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 10' ' ' TRP . . . -67.19 143.94 56.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.423 -173.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -79.42 -17.58 54.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 168.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 35' ' ' HIS . . . 93.02 56.28 1.51 Allowed Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.018 -0.992 . . . . 0.0 114.063 169.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.675 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 7.5 p80 174.3 155.51 0.13 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 117.046 0.423 . . . . 0.0 111.23 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.47 71.41 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.675 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 3.2 mp0 -58.36 -25.76 62.38 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.846 0.355 . . . . 0.0 111.166 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -72.57 -33.89 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 109.963 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 31.2 tp -69.43 -40.64 77.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.575 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.486 HG22 HG21 ' A' ' 58' ' ' VAL . 59.0 t -58.98 -46.64 91.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.059 175.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.57 -42.13 97.59 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.025 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 53.6 mmtt -63.91 -31.76 73.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 87.9 mt -68.76 -36.82 78.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.866 0.365 . . . . 0.0 110.492 176.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 50.9 mt-30 -76.35 -20.4 57.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.013 0.435 . . . . 0.0 110.834 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.37 -51.86 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.023 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.459 ' HG2' HD23 ' A' ' 24' ' ' LEU . 7.6 tpt180 -77.93 -46.23 21.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 -176.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -94.74 -52.07 4.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.853 0.358 . . . . 0.0 111.014 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 94.55 42.27 3.96 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.907 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -86.99 176.88 7.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.2 m -72.9 156.06 39.25 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.415 ' HB2' ' HE3' ' A' ' 51' ' ' LYS . 34.0 ttmt -59.25 -47.33 85.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.615 0.245 . . . . 0.0 111.213 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -62.34 -43.96 97.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.372 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -56.1 -42.32 76.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.108 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.59 -44.69 81.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.992 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.42 -42.78 88.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.804 0.335 . . . . 0.0 111.133 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -59.36 -42.86 92.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.978 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -65.3 -38.47 90.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.004 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.486 HG21 HG22 ' A' ' 40' ' ' VAL . 85.5 t -65.82 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.362 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -63.4 -33.24 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.609 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.53 -55.73 18.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.095 0.474 . . . . 0.0 109.847 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -58.79 -40.8 85.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.503 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.0 p -69.69 -19.36 63.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -74.77 -23.28 58.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.241 0.543 . . . . 0.0 110.06 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 7.8 35.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.004 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.772 -0.633 . . . . 0.0 110.498 -179.497 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtt . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.56 -51.52 69.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.182 -172.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m -71.69 -14.14 61.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.145 0.497 . . . . 0.0 111.402 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.573 ' HA ' ' HB3' ' A' ' 7' ' ' LYS . 7.5 m-20 -101.84 24.65 9.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.323 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.489 HG13 ' H ' ' A' ' 6' ' ' ILE . 4.1 p -60.92 -58.94 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.489 ' H ' HG13 ' A' ' 5' ' ' VAL . 62.2 mt -91.92 -27.96 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.445 0.641 . . . . 0.0 110.029 177.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HB3' ' HA ' ' A' ' 4' ' ' ASP . 66.6 tttt -56.52 -37.1 69.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.502 178.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 9' ' ' LYS . . . -113.74 144.41 18.18 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 33.8 mtmm 79.54 15.61 0.92 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.662 0.785 . . . . 0.0 110.215 -175.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.435 ' O ' HG23 ' A' ' 14' ' ' THR . 55.8 t-105 -50.82 -43.27 58.92 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.426 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -20.43 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.242 -176.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 12' ' ' GLN . 9.6 mm-40 -91.34 -30.39 16.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.195 0.522 . . . . 0.0 110.342 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.2 mt -81.52 -9.0 59.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.064 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 10' ' ' TRP . 15.6 p -46.49 -55.17 7.91 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -177.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.12 -31.18 75.83 Favored Glycine 0 CA--C 1.517 0.219 0 C-N-CA 121.113 -0.565 . . . . 0.0 113.139 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -82.93 -38.97 22.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.855 0.36 . . . . 0.0 110.305 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG23 ' HZ3' ' A' ' 21' ' ' TRP . 81.8 mt -62.99 -48.94 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.3 0.572 . . . . 0.0 109.695 175.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 43.9 tttm -53.57 -50.08 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.504 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -84.55 -5.85 59.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.373 -168.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.474 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 49.6 ttt-85 -74.81 -55.17 6.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.308 0.575 . . . . 0.0 109.674 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.457 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 20.7 m-90 -82.35 -36.13 27.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.0 -31.0 5.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.144 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.422 ' OD2' ' HB3' ' A' ' 46' ' ' ARG . 34.6 t70 -84.63 -34.66 23.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.174 0.487 . . . . 0.0 110.947 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD23 ' HG3' ' A' ' 46' ' ' ARG . 88.2 mt -57.71 130.06 44.7 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.399 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.3 p -96.77 160.05 14.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -71.38 -10.58 60.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.418 . . . . 0.0 109.891 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.41 -41.08 61.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.318 174.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -66.94 -30.67 70.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.189 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -92.06 7.99 39.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.716 -172.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -125.5 18.78 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.623 0.725 . . . . 0.0 109.349 175.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.45 -60.2 2.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.756 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.78 -157.7 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -167.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.551 ' HB3' ' HD2' ' A' ' 35' ' ' HIS . 15.8 t70 -50.81 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.81 -173.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' HA2' ' CD2' ' A' ' 10' ' ' TRP . . . 146.28 -23.64 1.72 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.439 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.551 ' HD2' ' HB3' ' A' ' 33' ' ' ASP . 3.6 p80 -50.25 132.23 24.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.8 0.3 . . . . 0.0 110.455 175.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.561 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -52.17 -33.47 40.67 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.611 0.569 . . . . 0.0 112.043 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.502 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 62.4 tt0 -50.84 -34.54 28.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.547 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -69.63 -42.35 74.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.171 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.781 HD11 HG22 ' A' ' 58' ' ' VAL . 2.4 pp -70.84 -22.12 62.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.498 HG22 HG21 ' A' ' 58' ' ' VAL . 93.8 t -60.61 -46.26 95.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.695 171.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.17 -35.59 92.28 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.738 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 54.6 mmtt -64.32 -35.31 80.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.554 0.216 . . . . 0.0 111.097 176.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 86.8 mt -67.04 -35.45 79.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.956 0.408 . . . . 0.0 110.086 176.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -71.78 -30.96 66.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.288 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.39 -59.21 2.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.055 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HG3' HD23 ' A' ' 24' ' ' LEU . 14.1 mmm180 -69.95 -44.72 68.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.637 -174.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -102.07 -61.62 1.36 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.83 0.347 . . . . 0.0 110.824 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.83 51.4 0.9 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.416 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.457 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 14.6 m0 -91.71 169.02 11.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.164 0.507 . . . . 0.0 110.89 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 m -74.62 158.16 34.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.443 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.17 -45.79 90.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.83 -172.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.17 -31.8 73.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.964 0.411 . . . . 0.0 111.437 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -75.12 -44.19 48.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.759 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -60.2 -44.58 95.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.827 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.89 -39.5 92.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.186 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.26 -42.41 98.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.767 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HG3' ' CZ3' ' A' ' 49' ' ' TRP . 46.3 mm-40 -60.92 -44.49 97.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.754 177.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.781 HG22 HD11 ' A' ' 39' ' ' LEU . 59.0 t -63.21 -43.95 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.456 177.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -62.08 -42.87 99.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.951 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -59.4 -45.81 90.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.077 0.465 . . . . 0.0 110.303 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.496 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 88.4 t80 -63.71 -49.36 73.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.984 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -67.07 -34.69 78.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.611 -175.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -70.75 -29.53 65.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.079 0.466 . . . . 0.0 110.424 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -93.42 13.08 22.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.499 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 70.7 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.107 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.459 ' HG3' ' H ' ' A' ' 2' ' ' ASN . 22.3 ptt? . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 111.205 0.076 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.459 ' H ' ' HG3' ' A' ' 1' ' ' MET . 24.7 t-20 -177.19 -68.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -78.05 52.45 1.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.476 0.655 . . . . 0.0 109.916 176.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -81.45 95.98 7.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.473 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.09 -16.44 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.325 0.583 . . . . 0.0 110.799 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.508 ' HA ' HD12 ' A' ' 13' ' ' LEU . 30.7 mt -65.86 -27.88 42.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.42 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -58.59 -36.1 73.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.257 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.87 -52.48 1.39 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.99 -175.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -89.71 29.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.632 0.253 . . . . 0.0 111.62 -174.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -51.48 -45.28 62.75 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.988 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.86 -12.28 61.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -175.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -98.72 -28.63 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.224 0.535 . . . . 0.0 110.151 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 6' ' ' ILE . 92.5 mt -84.21 0.8 47.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.46 -176.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 p -54.04 -54.42 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.502 . . . . 0.0 110.728 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -72.23 -13.27 76.64 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.706 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -38.38 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.986 0.422 . . . . 0.0 110.193 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.518 HG23 ' CE3' ' A' ' 21' ' ' TRP . 76.1 mt -66.14 -44.99 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.376 0.608 . . . . 0.0 109.703 175.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.19 -33.9 72.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.527 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 20.7 tt0 -67.0 -26.95 67.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.785 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 20' ' ' ARG . 36.9 ttt85 -90.49 -71.3 0.63 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 -178.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.518 ' CE3' HG23 ' A' ' 17' ' ' ILE . 5.3 m-90 -82.89 -47.88 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 110.886 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.2 -39.11 2.87 Favored Glycine 0 C--N 1.314 -0.657 0 C-N-CA 120.923 -0.656 . . . . 0.0 114.366 172.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.68 -28.64 68.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 117.118 0.459 . . . . 0.0 110.686 -176.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.42 126.09 26.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.849 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.6 p -82.35 168.24 17.74 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.334 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.92 -27.91 68.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.206 0.527 . . . . 0.0 109.96 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.79 -31.25 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.992 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -70.81 -34.13 71.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.275 0.56 . . . . 0.0 110.292 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.5 mt -100.33 4.36 43.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.039 -171.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 6.8 tt0 -122.67 19.21 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.226 0.536 . . . . 0.0 110.453 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB3' ' OH ' ' A' ' 38' ' ' TYR . . . -99.83 -83.3 0.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.524 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . . . -99.31 -164.86 1.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -170.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -70.37 156.09 39.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.632 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.83 24.48 23.88 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.675 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 3.5 p80 -62.81 149.92 42.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.899 0.349 . . . . 0.0 110.401 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.43 68.35 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HB2' ' ND1' ' A' ' 35' ' ' HIS . 24.0 mm-40 -55.97 -28.81 58.72 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.834 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.524 ' CE1' ' HB3' ' A' ' 32' ' ' ALA . 53.3 t80 -70.66 -42.03 71.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.896 0.379 . . . . 0.0 110.372 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 7.9 mp -67.11 -46.76 73.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.751 176.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.515 ' HA ' ' HB1' ' A' ' 54' ' ' ALA . 77.2 t -53.91 -49.32 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.627 177.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.83 -44.9 97.48 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.807 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.618 ' HG2' ' OE1' ' A' ' 45' ' ' GLU . 17.4 mttm -72.23 -27.45 62.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.918 0.359 . . . . 0.0 111.925 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 92.0 mt -68.91 -31.87 71.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 173.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -77.45 -28.67 52.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.587 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.618 ' OE1' ' HG2' ' A' ' 42' ' ' LYS . 45.9 mt-10 -69.04 -63.21 1.1 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.123 0.487 . . . . 0.0 110.877 175.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -77.46 -46.15 23.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.185 -169.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.448 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 73.3 m-85 -95.95 -38.54 10.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 0.0 111.234 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.24 40.78 8.92 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.834 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -83.05 168.61 16.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 110.637 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.7 m -76.49 153.23 35.7 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 172.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.59 -38.93 89.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.559 0.219 . . . . 0.0 110.784 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.6 -44.59 81.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.187 0.518 . . . . 0.0 110.188 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -70.21 -41.61 73.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.582 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 40' ' ' VAL . . . -58.71 -51.62 69.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.349 177.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.67 -46.27 74.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 175.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -61.06 -44.9 96.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -64.96 -42.06 94.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.45 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 54' ' ' ALA . 93.3 t -64.18 -47.78 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.757 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -62.67 -32.69 73.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.464 0.65 . . . . 0.0 110.583 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 34.0 t70 -75.8 -31.58 59.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.789 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 60.1 t80 -64.32 -44.41 91.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.518 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.552 ' HA ' HD12 ' A' ' 65' ' ' LEU . 5.5 p -67.95 -14.65 63.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.855 0.36 . . . . 0.0 111.198 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.507 ' HB3' ' O ' ' A' ' 60' ' ' ASP . 21.4 t70 -68.18 -30.37 69.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -106.67 20.17 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.351 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 62' ' ' SER . 89.7 mt . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.337 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.676 0.274 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -145.32 152.55 40.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 0.0 110.896 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -110.32 -26.87 9.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.361 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.42 127.75 33.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.249 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.2 t -123.93 -17.92 4.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.534 173.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.7 mt -88.64 -4.35 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.921 -166.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -74.58 -5.51 43.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.738 . . . . 0.0 109.526 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -143.74 169.58 26.01 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.9 mttt 63.33 21.68 12.92 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.552 0.341 . . . . 0.0 111.286 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.557 ' CE2' ' HB3' ' A' ' 32' ' ' ALA . 57.3 t-105 -54.18 -46.8 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.675 -176.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -77.28 -13.01 60.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 0.0 110.783 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -98.62 -12.57 20.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -106.25 7.64 31.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.823 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 29' ' ' LEU . 17.2 p -56.96 -52.61 64.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.577 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.41 -35.28 91.84 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.468 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -65.26 -42.16 93.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.008 0.433 . . . . 0.0 110.149 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.489 HG23 ' CE3' ' A' ' 21' ' ' TRP . 98.8 mt -70.5 -45.95 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -63.35 -24.17 67.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.64 -37.79 87.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.282 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -84.58 -55.22 4.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.732 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.489 ' CE3' HG23 ' A' ' 17' ' ' ILE . 6.0 m0 -107.64 108.11 19.22 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.659 -175.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.07 -7.75 84.89 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.515 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.414 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 2.5 m-20 -83.86 -6.69 59.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.065 0.459 . . . . 0.0 110.634 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.4 mt -93.8 112.92 24.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.57 175.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.1 p -81.16 177.53 8.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.195 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.97 -37.33 76.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.265 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.02 -40.49 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.93 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -60.69 -38.21 84.21 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.818 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.495 ' HB3' HG22 ' A' ' 14' ' ' THR . 78.7 mt -92.4 -0.0 57.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.346 -176.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -101.32 -44.6 5.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.264 0.554 . . . . 0.0 109.53 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.65 95.5 9.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.269 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.557 ' HB3' ' CE2' ' A' ' 10' ' ' TRP . . . -172.68 144.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.98 174.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.05 -33.06 63.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.128 0.489 . . . . 0.0 109.968 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.8 87.88 1.95 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.688 -0.767 . . . . 0.0 113.195 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 1.5 p80 -174.0 149.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 171.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' HB1' HG11 ' A' ' 58' ' ' VAL . . . -53.06 -37.51 61.67 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.822 0.701 . . . . 0.0 112.259 -173.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 40.9 tt0 -59.05 -34.46 71.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.375 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.48 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 36.0 t80 -75.71 -26.97 58.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 110.213 -176.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 10.2 mp -68.18 -39.31 82.56 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 174.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.88 -43.74 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.568 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.528 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -60.81 -50.47 67.18 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.205 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -61.2 -39.54 90.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.777 0.289 . . . . 0.0 111.713 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 84.5 mt -66.6 -36.14 81.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.917 0.389 . . . . 0.0 110.432 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -66.69 -46.78 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 51.7 mm-40 -73.39 -41.26 63.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.878 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -82.57 -60.84 2.06 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 23' ' ' ASP . 35.0 m-85 -75.88 -56.96 4.17 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.059 0.456 . . . . 0.0 111.222 -177.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.1 38.17 3.41 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.441 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 45.1 m0 -84.0 160.39 21.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.694 0.283 . . . . 0.0 110.485 177.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 p -68.45 155.32 40.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.37 -42.17 98.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.517 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.22 -43.77 98.34 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.937 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -64.85 -46.86 80.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.382 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -55.68 -53.95 50.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.574 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -49.0 -46.9 44.62 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.26 0.553 . . . . 0.0 111.315 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -66.38 -48.59 69.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.178 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.483 ' HA ' ' HB3' ' A' ' 60' ' ' ASP . 21.4 mt-10 -72.43 -23.85 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 54' ' ' ALA . 55.6 t -65.69 -46.25 89.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 0.0 110.211 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -69.81 -37.72 76.36 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.903 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 57' ' ' GLU . 19.7 t70 -56.65 -35.79 68.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.504 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -68.03 -43.67 78.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.377 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.415 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 20.0 m -67.52 -28.89 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.208 0.527 . . . . 0.0 110.56 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.14 -30.31 66.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.296 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -89.18 7.17 36.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.155 -177.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' ' 62' ' ' SER . 86.9 mt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.576 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 66.4 mtt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.855 0.359 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -74.91 -33.73 62.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.071 0.462 . . . . 0.0 110.199 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p -79.62 42.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.398 0.618 . . . . 0.0 110.452 177.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.517 ' HB3' ' HG3' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -97.39 106.58 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.003 -174.658 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.3 m -98.45 -5.27 9.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.229 0.537 . . . . 0.0 110.148 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.443 HG23 HD23 ' A' ' 13' ' ' LEU . 16.6 mt -85.81 2.7 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.777 -175.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.517 ' HG3' ' HB3' ' A' ' 4' ' ' ASP . 53.7 mttm -77.31 -7.7 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.987 0.422 . . . . 0.0 110.36 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.28 172.37 23.84 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 178.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 mttm 64.2 16.98 10.43 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.699 0.4 . . . . 0.0 110.663 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -56.66 -39.7 74.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.188 -173.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -67.17 -23.75 65.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.799 0.333 . . . . 0.0 111.04 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -91.74 -29.97 16.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.924 0.392 . . . . 0.0 110.482 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.443 HD23 HG23 ' A' ' 6' ' ' ILE . 7.9 mp -72.81 -11.67 60.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.513 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -48.3 -67.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.66 -30.16 75.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.921 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -66.61 -44.53 81.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.987 0.422 . . . . 0.0 110.337 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.19 -38.51 70.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.283 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -55.23 -49.8 71.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.647 175.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -74.18 -18.98 60.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.151 0.5 . . . . 0.0 111.014 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -40.0 60.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.328 -178.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.509 ' HB2' HD12 ' A' ' 24' ' ' LEU . 4.8 m-90 -121.76 5.68 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 -177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.17 -71.67 1.45 Allowed Glycine 0 CA--C 1.519 0.305 0 C-N-CA 121.181 -0.533 . . . . 0.0 114.314 170.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.486 ' OD2' ' HD3' ' A' ' 46' ' ' ARG . 16.8 t70 -70.29 -24.03 62.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -171.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.57 HD23 ' HG3' ' A' ' 46' ' ' ARG . 27.9 mt -59.48 105.32 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.73 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.593 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 36.8 m -79.77 149.28 31.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.636 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.78 -39.14 65.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.22 -36.63 84.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.288 -176.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.593 ' OD2' ' HB ' ' A' ' 25' ' ' THR . 14.6 m-20 -69.72 -27.25 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.192 0.52 . . . . 0.0 110.848 -178.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.65 -48.15 7.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.731 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -71.5 4.25 3.2 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.319 0.58 . . . . 0.0 110.909 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.5 -64.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.21 -178.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.47 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . . . -117.32 -96.0 0.47 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -144.72 172.63 12.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 111.998 -170.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 7' ' ' LYS . . . -109.59 129.75 9.6 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.636 -0.711 . . . . 0.0 113.389 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 2.0 p80 178.94 153.33 0.38 Allowed 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 174.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.19 -47.87 12.49 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 37' ' ' GLU . 2.4 mp0 -58.49 -28.07 65.03 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.559 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 49.8 t80 -74.66 -39.71 61.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.5 mp -65.08 -48.33 74.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.601 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -52.85 -47.08 52.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.655 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.91 -47.24 91.94 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.623 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 69.3 mmtt -65.65 -32.42 73.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.729 0.265 . . . . 0.0 111.462 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 95.4 mt -66.07 -34.17 77.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 110.247 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.512 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 55.1 mt-30 -83.93 -15.02 49.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.0 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -82.72 -51.31 7.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.94 0.4 . . . . 0.0 110.434 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.57 ' HG3' HD23 ' A' ' 24' ' ' LEU . 4.4 mmp_? -70.84 -58.42 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.596 -177.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -98.12 -45.8 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.004 0.43 . . . . 0.0 111.21 -177.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 86.57 57.27 2.1 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.613 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.496 ' CZ3' ' HG3' ' A' ' 57' ' ' GLU . 25.2 m0 -84.38 174.02 10.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.985 0.421 . . . . 0.0 110.415 176.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 m -70.62 146.26 50.15 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 167.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.61 -35.26 75.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.817 0.341 . . . . 0.0 110.612 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.28 -43.2 99.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 53' ' ' ARG . 21.1 ttp-105 -68.49 -36.26 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.453 178.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.54 -45.04 94.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.609 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.51 -40.64 83.41 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.153 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -52.03 -56.12 16.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.208 0.528 . . . . 0.0 110.242 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.507 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 33.8 mm-40 -61.48 -40.46 94.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.487 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 54' ' ' ALA . 82.4 t -60.86 -46.51 96.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.721 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -66.72 -38.49 86.8 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.171 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.92 -37.88 77.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.163 0.506 . . . . 0.0 110.626 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -76.09 -41.66 49.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.717 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 m -64.0 -35.79 81.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.41 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -74.63 -17.34 60.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.328 0.585 . . . . 0.0 110.361 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -85.27 -19.32 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.634 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.724 -177.939 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.561 0.22 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -83.2 108.59 16.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -71.34 95.29 1.31 Allowed 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' CG ' ' HA ' ' A' ' 35' ' ' HIS . 21.4 t70 -103.76 148.97 25.45 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.511 -169.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.7 m -114.01 -1.15 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.035 0.445 . . . . 0.0 111.649 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 13' ' ' LEU . 51.8 mt -91.88 -27.16 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.264 0.554 . . . . 0.0 109.668 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.766 ' HA ' ' HA3' ' A' ' 34' ' ' GLY . 25.5 ttpp -56.59 -24.28 46.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.099 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.31 0.04 43.8 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.681 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -135.33 19.03 3.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.805 0.336 . . . . 0.0 110.279 -176.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.456 ' CE3' ' HA2' ' A' ' 34' ' ' GLY . 57.5 t-105 -49.15 -57.33 6.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.674 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -81.63 -6.4 58.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.204 0.526 . . . . 0.0 110.63 -174.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -98.45 -9.96 24.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD12 HG23 ' A' ' 6' ' ' ILE . 70.8 mt -109.13 -1.23 18.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.212 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.4 p -52.56 -45.12 66.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.411 -177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.23 -46.25 94.34 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.632 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -67.69 -37.97 83.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.92 0.39 . . . . 0.0 110.565 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 13' ' ' LEU . 79.5 mt -64.76 -44.97 96.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.427 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 86.3 tttt -57.97 -44.35 87.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.957 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -67.64 -28.43 67.72 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 20' ' ' ARG . 14.8 ttm180 -72.37 -53.61 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.553 -177.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -97.84 -17.17 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.042 -174.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.1 -54.03 4.45 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.012 -0.613 . . . . 0.0 114.442 170.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.71 -17.8 59.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.821 0.343 . . . . 0.0 111.532 -173.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD13 HD21 ' A' ' 29' ' ' LEU . 96.1 mt -69.53 121.21 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.947 177.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -88.11 169.54 11.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 0.0 111.077 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 6.5 m-20 -67.11 -29.04 68.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.35 -33.57 23.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.888 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.75 -27.84 66.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.449 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD21 HD13 ' A' ' 24' ' ' LEU . 98.0 mt -92.13 23.4 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.342 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 31.0 mm-40 -111.99 152.29 28.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 176.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 66.91 96.19 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.925 0.766 . . . . 0.0 112.322 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.21 175.07 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.435 ' HB2' ' HD2' ' A' ' 35' ' ' HIS . 2.7 m-20 -73.37 -50.77 20.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 171.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.766 ' HA3' ' HA ' ' A' ' 7' ' ' LYS . . . 121.33 -24.76 7.21 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.673 -177.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -57.26 140.96 48.34 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.674 0.273 . . . . 0.0 111.588 -177.119 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.04 -38.3 4.79 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -176.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.59 -25.58 64.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.665 0.269 . . . . 0.0 111.276 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -74.59 -34.33 62.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.1 mp -65.78 -38.03 87.92 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.893 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.54 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 57.7 t -56.86 -46.52 83.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.097 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.83 -46.32 94.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.01 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -60.3 -43.38 96.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.598 0.237 . . . . 0.0 111.4 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 96.0 mt -64.83 -32.59 74.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.628 0.251 . . . . 0.0 111.188 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.541 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 7.2 mm-40 -73.28 -37.47 66.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.787 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -74.86 -35.19 62.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.591 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.452 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -75.82 -55.22 5.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.693 -179.427 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.41 -69.56 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.278 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.67 82.55 1.63 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.997 -175.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -114.22 -177.02 3.03 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -58.4 138.03 56.84 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 167.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 4.5 ttpt -59.43 -40.27 86.23 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.276 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.17 -48.39 81.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.086 0.47 . . . . 0.0 109.911 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -59.25 -42.38 90.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.881 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.93 85.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.643 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 26.2 mt-10 -59.08 -49.03 79.43 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.835 177.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 16.5 mm-40 -60.05 -33.91 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.407 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -61.39 -40.52 94.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.656 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.435 HG13 HD22 ' A' ' 39' ' ' LEU . 25.0 t -77.39 -35.42 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.742 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 36.3 mmt180 -61.91 -43.71 98.29 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.485 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.63 -45.76 85.02 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.185 0.517 . . . . 0.0 110.685 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -62.18 -50.51 71.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.705 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m -66.0 -28.13 68.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.226 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.88 -31.92 71.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.23 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 69.3 ttt180 -94.99 22.3 6.72 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.37 0.605 . . . . 0.0 110.591 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.709 -0.662 . . . . 0.0 109.854 176.613 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.286 0.089 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.6 t30 68.96 25.39 6.01 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.511 0.672 . . . . 0.0 111.253 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 p -95.41 16.28 17.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.607 0.718 . . . . 0.0 109.522 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 10.1 m-20 -63.99 110.98 2.31 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.558 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.3 m -89.15 -10.39 10.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.222 0.535 . . . . 0.0 110.728 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 13' ' ' LEU . 31.4 mt -87.73 -20.54 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.826 -176.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 63.4 pttt -60.91 -21.94 63.85 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.407 -172.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.02 -54.14 1.67 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.895 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 4.1 mptp? -95.65 24.79 5.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -172.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.601 ' CE3' ' HA3' ' A' ' 34' ' ' GLY . 51.4 t-105 -53.21 -41.63 65.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.069 177.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -60.68 -24.57 65.71 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.588 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -98.58 -25.64 14.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.99 0.424 . . . . 0.0 111.013 -178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 6' ' ' ILE . 91.1 mt -84.99 6.3 25.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.482 -176.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.7 p -56.29 -47.92 77.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.042 0.449 . . . . 0.0 111.123 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.71 -35.27 89.52 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.004 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -64.34 -48.43 75.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.59 0.233 . . . . 0.0 111.058 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.483 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 88.0 mt -60.74 -41.59 88.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -64.64 -41.02 96.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.046 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.54 -24.39 60.12 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.833 0.349 . . . . 0.0 111.379 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.522 ' NH2' ' HA ' ' A' ' 61' ' ' PHE . 11.0 mmt180 -69.46 -63.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.044 0.449 . . . . 0.0 110.783 175.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.483 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 16.4 m-90 -93.13 -66.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.486 -175.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.14 -46.06 1.17 Allowed Glycine 0 C--N 1.313 -0.718 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.909 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.08 -25.76 63.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.88 0.371 . . . . 0.0 111.475 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.21 104.96 9.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.382 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.533 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 70.4 p -72.56 159.66 33.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.941 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.19 -8.92 57.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.942 0.401 . . . . 0.0 110.346 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -80.51 -32.13 37.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.894 171.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.95 -26.59 63.24 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.329 0.585 . . . . 0.0 109.448 172.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 25' ' ' THR . 58.7 mt -95.23 18.49 12.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.723 -176.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -118.51 92.89 3.93 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.07 -151.37 0.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.862 -172.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 -155.63 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.969 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -62.66 121.69 13.99 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 111.09 -175.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.601 ' HA3' ' CE3' ' A' ' 10' ' ' TRP . . . -81.36 67.96 3.54 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.968 -178.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 29.3 p-80 -92.0 166.57 12.62 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.68 79.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -172.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 74.4 mm-40 -60.25 -25.35 65.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.645 0.259 . . . . 0.0 111.435 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -76.16 -38.61 56.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.1 -42.51 99.29 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.363 175.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 60.6 t -55.01 -39.74 50.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.282 177.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.81 -49.86 65.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.435 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 57.4 mmtt -66.92 -34.78 78.52 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.724 -0.28 . . . . 0.0 111.61 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 47' ' ' TYR . 84.8 mt -71.83 -30.19 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.906 0.384 . . . . 0.0 110.462 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 1.2 mm-40 -75.3 -29.79 60.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.35 0.595 . . . . 0.0 110.121 174.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -78.0 -54.32 6.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.501 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -81.8 -30.48 32.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.748 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 80.8 m-85 -111.41 -54.85 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 111.467 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.55 37.85 4.13 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.897 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -82.87 163.53 21.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.814 0.34 . . . . 0.0 111.253 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.7 m -65.87 156.82 32.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.606 173.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -60.7 -46.12 91.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.879 0.371 . . . . 0.0 110.051 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -65.45 -39.02 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.931 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -57.31 -49.73 75.17 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.529 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.33 -40.94 98.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.779 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.88 -46.53 71.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.514 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.75 -30.78 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.437 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -71.91 -41.41 67.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.865 0.364 . . . . 0.0 110.315 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 54' ' ' ALA . 91.2 t -63.93 -39.04 84.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.026 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -61.9 -51.14 69.37 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.328 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.87 -37.07 75.69 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.031 0.443 . . . . 0.0 110.815 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.522 ' HA ' ' NH2' ' A' ' 20' ' ' ARG . 46.5 t80 -63.11 -48.62 77.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.413 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 p -87.1 -17.05 33.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.825 0.345 . . . . 0.0 111.833 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.01 -40.16 28.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.078 0.466 . . . . 0.0 109.898 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.466 ' HB3' HH22 ' A' ' 20' ' ' ARG . 33.1 ttt180 -96.74 67.1 2.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.916 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.44 -0.79 . . . . 0.0 109.477 174.196 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.113 0.483 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -134.59 -156.79 0.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 m -60.59 -29.37 69.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.904 0.383 . . . . 0.0 110.986 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -80.86 83.48 6.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.967 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -78.71 -10.5 12.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.385 0.612 . . . . 0.0 109.552 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -92.02 3.6 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.634 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.652 ' HA ' ' O ' ' A' ' 34' ' ' GLY . 82.7 tttt -72.03 -26.73 62.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.758 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.99 157.84 15.11 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp 65.34 28.09 11.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.697 0.284 . . . . 0.0 110.745 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.544 ' O ' HG23 ' A' ' 14' ' ' THR . 50.4 t-105 -50.42 -41.52 52.54 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.758 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -71.11 -29.88 65.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.523 0.202 . . . . 0.0 111.365 -176.566 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -80.74 -39.33 27.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.01 0.434 . . . . 0.0 110.85 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.469 ' O ' HG13 ' A' ' 17' ' ' ILE . 98.9 mt -71.61 -15.06 62.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.606 -175.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 10' ' ' TRP . 44.2 p -49.2 -49.63 41.87 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 123.452 0.47 . . . . 0.0 111.341 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.582 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -55.74 -43.97 86.71 Favored Glycine 0 C--O 1.226 -0.39 0 CA-C-N 115.819 -0.628 . . . . 0.0 113.029 -178.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.68 -31.65 59.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.572 0.225 . . . . 0.0 111.439 -175.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 13' ' ' LEU . 62.1 mt -66.33 -41.85 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 173.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -65.54 -32.3 73.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.475 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 44.0 mt-10 -70.37 -43.11 70.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.711 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.68 ' NH1' ' HA ' ' A' ' 61' ' ' PHE . 12.3 ttm180 -71.15 -57.77 4.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.042 -171.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -87.79 -44.68 10.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 111.248 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.29 -37.9 3.28 Favored Glycine 0 C--N 1.317 -0.527 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.721 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.79 -38.38 79.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.283 0.541 . . . . 0.0 111.19 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD23 ' HG3' ' A' ' 46' ' ' ARG . 90.1 mt -57.97 119.05 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.5 p -87.84 -178.23 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.29 -30.57 71.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.998 0.427 . . . . 0.0 110.072 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.74 -36.27 83.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.1 178.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.554 ' HA ' ' HE2' ' A' ' 42' ' ' LYS . 17.5 m-20 -77.31 -27.28 52.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 -177.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.8 mt -96.71 16.13 19.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.098 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -128.69 163.32 25.37 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.89 67.68 0.6 Allowed 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.626 0.579 . . . . 0.0 111.446 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.27 160.14 42.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.544 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -27.46 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.214 175.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.652 ' O ' ' HA ' ' A' ' 7' ' ' LYS . . . 85.97 92.14 0.87 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.09 -173.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.32 156.78 0.77 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.27 76.77 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.499 0.499 . . . . 0.0 111.378 -173.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -56.06 -32.91 64.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.281 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -71.35 -40.36 70.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.374 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.0 mp -63.87 -39.51 94.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.89 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 54' ' ' ALA . 85.9 t -54.96 -49.86 67.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.384 176.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.76 -44.2 98.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.307 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 26.6 mmtm -66.58 -34.37 77.74 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 122.798 -0.236 . . . . 0.0 111.588 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 85.5 mt -70.33 -37.03 74.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.618 0.247 . . . . 0.0 110.854 178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 23.1 mt-30 -72.15 -30.5 65.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -73.63 -54.77 7.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HG3' HD23 ' A' ' 24' ' ' LEU . 24.1 mmt180 -71.39 -59.91 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.905 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -81.86 -52.69 6.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.02 0.438 . . . . 0.0 111.165 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.33 46.59 2.34 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.479 -175.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -89.56 177.63 6.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.93 0.395 . . . . 0.0 110.377 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.2 t -90.51 156.84 17.89 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -57.41 -48.15 79.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -171.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -76.23 -25.17 54.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.87 -172.302 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -67.6 -47.77 68.75 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 173.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -59.64 -44.93 93.34 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.267 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.15 -43.47 78.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -61.48 -44.83 96.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.63 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.17 -34.66 71.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.545 0.212 . . . . 0.0 111.27 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 54' ' ' ALA . 98.9 t -69.97 -37.07 71.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.234 0.54 . . . . 0.0 110.026 175.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -63.09 -39.84 95.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.762 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.49 -39.47 93.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.391 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.68 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 93.2 t80 -59.2 -39.73 83.54 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.943 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -69.16 -35.14 76.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.971 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -64.52 -52.1 59.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 110.248 176.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.609 ' HB2' HH12 ' A' ' 20' ' ' ARG . 50.9 mtt180 -85.29 61.47 6.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.001 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 32.1 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.655 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 121.007 0.432 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -75.65 143.11 42.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.177 -175.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.8 p 61.46 174.77 0.12 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.501 1.12 . . . . 0.0 112.246 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.523 ' OD2' ' HA ' ' A' ' 35' ' ' HIS . 12.4 t70 -110.15 149.98 29.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.716 -177.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.3 m -76.43 -35.46 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.238 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.1 mt -75.53 -36.38 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.343 0.592 . . . . 0.0 110.069 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.712 ' HA ' ' HA3' ' A' ' 34' ' ' GLY . 85.4 tttt -61.58 -28.19 69.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.838 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.84 -39.77 5.43 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.835 -178.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -105.27 28.32 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.806 0.303 . . . . 0.0 111.264 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -51.64 -50.25 60.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -175.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 36.9 ttmt -76.46 -12.56 60.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.102 0.477 . . . . 0.0 110.973 -175.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -92.6 -39.26 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.213 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 17' ' ' ILE . 94.7 mt -77.9 -2.76 38.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.086 -174.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -51.44 -42.21 61.37 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.39 -44.01 85.82 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.251 -0.5 . . . . 0.0 112.911 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -68.56 -34.81 76.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.822 -0.222 . . . . 0.0 111.443 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.498 HG23 ' CE3' ' A' ' 21' ' ' TRP . 72.1 mt -64.31 -43.99 97.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.216 0.532 . . . . 0.0 109.9 176.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 52.8 tptt -59.87 -30.39 68.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.006 175.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -79.01 -49.37 12.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.268 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.629 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.4 mmp_? -61.59 -58.81 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -175.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.498 ' CE3' HG23 ' A' ' 17' ' ' ILE . 6.9 m0 -100.54 -23.94 14.58 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.942 -173.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' A' ' 18' ' ' LYS . . . 83.45 -67.35 3.75 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.812 -0.708 . . . . 0.0 114.795 167.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.57 -20.67 64.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -169.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -58.96 129.1 40.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.933 0.397 . . . . 0.0 110.826 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 11.2 t -94.98 174.95 6.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.681 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -70.75 -14.16 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.756 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' H ' HG23 ' A' ' 25' ' ' THR . 13.6 m-20 -71.39 -45.45 62.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.477 ' OD2' HG22 ' A' ' 25' ' ' THR . 34.5 m-20 -65.8 -34.25 77.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.696 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 25' ' ' THR . 41.3 mt -91.43 7.73 39.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.943 -174.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -152.15 72.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.977 0.418 . . . . 0.0 110.116 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 177.27 47.53 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.683 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -150.25 168.37 24.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -171.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.584 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -104.38 17.53 23.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.988 172.516 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.712 ' HA3' ' HA ' ' A' ' 7' ' ' LYS . . . 75.0 -144.67 32.56 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.483 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.691 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 19.8 p80 53.45 156.05 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.37 1.468 . . . . 0.0 113.897 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -58.67 -41.07 85.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.374 -172.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.691 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 10.7 mp0 -52.4 -36.45 54.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.656 -176.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 49.8 t80 -73.68 -42.82 60.79 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.241 -178.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.56 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 60.6 mt -60.03 -43.92 94.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.623 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 36' ' ' ALA . 67.2 t -51.65 -47.23 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.453 0.471 . . . . 0.0 110.376 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.21 -47.59 90.22 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.271 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 57.8 mmtt -64.83 -37.29 87.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 59.3 mt -70.27 -28.08 64.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 14.4 mm100 -83.09 -36.57 24.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.111 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.31 -53.87 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.861 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -78.68 -52.04 8.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.372 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -98.21 -69.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.974 0.416 . . . . 0.0 111.284 -173.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.6 64.5 0.7 Allowed Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.953 -176.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.509 ' HB3' ' HD2' ' A' ' 53' ' ' ARG . 12.6 m0 -95.5 -168.61 1.81 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.5 t -73.33 144.2 46.62 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 165.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -58.88 -36.99 75.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.88 0.371 . . . . 0.0 110.235 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.35 -40.78 97.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.115 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.509 ' HD2' ' HB3' ' A' ' 49' ' ' TRP . 27.9 ttm180 -65.58 -43.57 89.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.427 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.84 -48.32 82.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.48 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.9 -45.14 95.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.984 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.439 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 13.3 mm-40 -61.84 -33.41 74.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.606 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 33.0 mm-40 -65.59 -40.31 92.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.881 0.372 . . . . 0.0 110.374 175.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.473 HG13 HD12 ' A' ' 39' ' ' LEU . 48.2 t -65.08 -42.2 93.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.237 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -65.1 -41.3 95.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.734 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.97 -45.43 92.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.345 175.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.59 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 51.8 t80 -62.34 -49.66 74.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.809 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 m -62.87 -40.13 96.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.62 -178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.49 -27.64 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.506 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -88.37 10.85 18.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.11 0.481 . . . . 0.0 110.58 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 98.7 mt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.436 -0.793 . . . . 0.0 109.84 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mtt . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.83 0.347 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.79 22.35 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.367 0.604 . . . . 0.0 110.048 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 p -104.12 9.66 36.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.53 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -123.59 147.76 47.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.434 -176.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -114.64 -23.11 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.004 0.431 . . . . 0.0 111.01 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.1 mm -75.75 -45.5 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.407 -175.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.93 -24.99 67.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.965 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.74 -40.63 95.19 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.784 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -131.46 35.75 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.807 -0.231 . . . . 0.0 110.451 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.666 ' CZ2' ' HB3' ' A' ' 32' ' ' ALA . 68.1 t-105 -48.9 -42.37 36.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -175.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -70.98 -29.27 65.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.869 0.366 . . . . 0.0 110.705 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -90.65 -37.12 13.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.151 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.48 -8.44 26.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.443 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 29' ' ' LEU . 27.5 p -48.2 -45.35 33.8 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.433 0.458 . . . . 0.0 111.407 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.523 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -70.5 -30.66 68.71 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.974 -178.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -81.79 -39.41 24.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.155 0.478 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.407 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 80.8 mt -65.72 -44.14 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.093 0.473 . . . . 0.0 110.311 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -69.05 -28.41 66.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.545 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.523 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 3.8 tp10 -72.21 -36.63 69.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.111 0.481 . . . . 0.0 110.111 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -62.31 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.601 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.407 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 24.1 m-90 -88.95 -52.11 5.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.963 0.411 . . . . 0.0 111.996 -174.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.86 -47.42 1.07 Allowed Glycine 0 C--N 1.313 -0.721 0 C-N-CA 120.875 -0.679 . . . . 0.0 113.165 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.44 -11.51 60.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 111.641 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD23 ' HG3' ' A' ' 46' ' ' ARG . 95.3 mt -83.61 98.08 9.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 174.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 t -76.9 160.35 29.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.666 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -60.91 -26.59 67.57 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.702 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.02 -48.09 82.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.023 0.44 . . . . 0.0 110.763 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.26 -41.42 81.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.799 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 14' ' ' THR . 63.8 mt -77.76 -16.61 58.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.813 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.95 -22.49 20.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.054 0.454 . . . . 0.0 110.578 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.32 -38.93 11.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -173.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.666 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . . . -68.4 170.9 8.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -170.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.88 -69.12 0.31 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.977 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.636 ' HA2' ' CD2' ' A' ' 10' ' ' TRP . . . 146.09 -38.52 1.18 Allowed Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.248 -0.977 . . . . 0.0 113.446 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 4.6 p80 -57.93 142.69 45.43 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 117.176 0.488 . . . . 0.0 111.105 -175.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -48.75 -42.18 34.55 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 3.5 mp0 -56.7 -29.83 62.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.627 0.251 . . . . 0.0 111.616 -176.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -82.43 -32.52 28.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.022 0.439 . . . . 0.0 109.845 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.8 tp -66.96 -37.43 84.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.711 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' HB3' ' A' ' 54' ' ' ALA . 79.5 t -55.72 -44.78 78.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.241 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.526 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -62.35 -36.93 93.78 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.326 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -64.26 -41.73 96.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.639 0.257 . . . . 0.0 110.977 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.38 -39.9 95.78 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.911 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.27 -29.01 68.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.968 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 13.0 mm-40 -78.85 -35.57 43.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.679 0.276 . . . . 0.0 111.033 177.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HG3' HD23 ' A' ' 24' ' ' LEU . 13.3 mmp_? -72.84 -57.76 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.398 . . . . 0.0 111.716 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -104.1 -18.7 14.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.06 -171.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.76 40.07 23.02 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.056 -1.068 . . . . 0.0 111.768 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.525 ' CZ3' ' HG2' ' A' ' 57' ' ' GLU . 50.9 m0 -83.01 158.74 22.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.853 0.358 . . . . 0.0 110.424 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.1 t -73.16 156.11 38.95 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -63.11 -39.48 94.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.492 0.187 . . . . 0.0 111.236 -175.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.73 -42.09 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.956 0.408 . . . . 0.0 110.725 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 34.4 ttm180 -67.41 -45.39 76.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.409 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -63.92 -37.86 88.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -58.52 -58.15 9.83 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.694 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.68 -31.7 71.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.617 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.525 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 3.8 tp10 -68.39 -41.04 81.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.781 0.324 . . . . 0.0 110.566 -178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 54' ' ' ALA . 93.9 t -64.3 -38.84 83.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.158 175.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 17.9 mtp180 -65.98 -40.07 90.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.688 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.7 t70 -54.22 -42.07 69.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 110.232 176.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -69.21 -46.29 67.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.283 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.8 m -70.3 -27.7 64.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.047 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.45 1.02 50.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 111.01 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 50.7 mtt-85 -110.95 11.34 22.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.298 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.346 179.466 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -46.97 128.92 11.67 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 123.32 0.387 . . . . 0.0 111.167 176.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.445 ' HB3' ' OG ' ' A' ' 62' ' ' SER . 2.9 m -57.56 106.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.647 177.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.634 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 5.4 p-10 -132.54 10.23 4.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.913 0.387 . . . . 0.0 111.272 -174.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.33 -18.24 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -69.62 -27.11 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.743 -175.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.634 ' HE2' ' HB2' ' A' ' 4' ' ' ASP . 50.6 mtmt -58.78 -46.54 87.28 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.46 7.5 63.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.159 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 89.7 mttt -130.17 16.24 5.61 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.64 -0.329 . . . . 0.0 110.999 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.463 ' HE1' ' HA ' ' A' ' 31' ' ' ALA . 61.0 t-105 -44.38 -61.1 1.64 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -173.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.722 ' HD2' ' HG2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -73.69 -4.35 33.86 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -173.801 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.722 ' HG2' ' HD2' ' A' ' 11' ' ' LYS . 18.5 mm-40 -98.4 -13.16 20.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.975 0.417 . . . . 0.0 109.886 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 87.7 mt -106.2 -17.13 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.997 -173.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.1 p -49.63 -39.76 36.95 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.12 -41.41 98.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.849 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -84.77 -27.41 26.9 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 13' ' ' LEU . 63.4 mt -60.45 -46.84 94.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.765 174.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HB2' HD11 ' A' ' 29' ' ' LEU . 84.2 tttt -66.31 -31.28 71.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -80.4 -24.37 39.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.855 0.36 . . . . 0.0 110.532 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -69.41 -57.71 4.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.062 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.4 ' HZ3' HG23 ' A' ' 17' ' ' ILE . 6.4 m-90 -95.9 -18.07 20.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.755 -175.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.4 -70.45 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.408 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 33.2 t70 -85.23 64.98 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.743 0.782 . . . . 0.0 110.577 -173.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.3 mt -121.72 118.37 28.93 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.364 174.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.0 m -74.69 153.78 38.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.469 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -58.41 -30.08 66.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.705 0.288 . . . . 0.0 110.697 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.97 -41.45 82.96 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.099 0.476 . . . . 0.0 110.997 172.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.723 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 65.6 m-20 -73.72 -19.46 60.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.901 -178.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 18' ' ' LYS . 43.2 mt -102.77 2.68 35.94 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.478 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -62.9 112.13 2.44 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.157 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . . . -72.46 99.66 2.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.408 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.64 -77.7 0.59 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.179 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.44 111.68 24.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.362 0.601 . . . . 0.0 109.573 172.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.16 107.57 3.09 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.791 -0.64 . . . . 0.0 113.611 -172.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.414 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 1.4 p80 -166.64 159.54 14.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.39 73.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 0.0 111.761 -173.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 37' ' ' GLU . 1.9 mp0 -60.72 -30.61 70.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.674 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.414 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.3 t80 -68.0 -39.43 83.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 49.8 tp -61.28 -52.12 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.032 174.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.04 -48.52 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.974 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.11 -38.05 92.52 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.933 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.723 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 15.4 mttm -85.06 -18.47 34.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.459 -0.436 . . . . 0.0 111.809 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 83.9 mt -67.32 -30.51 70.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 170.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.476 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 86.2 mt-30 -81.88 -25.72 34.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.872 174.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 42' ' ' LYS . 5.5 tp10 -67.24 -58.89 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.492 176.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 24.4 tpt180 -75.16 -53.6 8.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.422 -175.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -91.75 -65.39 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.038 0.447 . . . . 0.0 110.92 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 105.72 47.65 1.09 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.549 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -83.13 170.41 14.8 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 152.28 41.98 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 62.8 tttm -52.1 -48.65 64.64 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.196 0.31 . . . . 0.0 111.614 -175.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 1.4 pm0 -69.47 -28.06 65.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.298 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -77.09 -35.91 56.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.35 -42.81 87.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.854 175.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' OE2' ' HG2' ' A' ' 51' ' ' LYS . 48.1 mt-10 -57.39 -41.47 80.33 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.621 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.68 -49.05 79.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.342 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -58.54 -45.09 89.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.295 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 54' ' ' ALA . 83.0 t -58.13 -46.86 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.092 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -67.12 -39.5 86.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.845 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -64.77 -45.56 85.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.741 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -65.16 -39.27 92.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.455 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.445 ' OG ' ' HB3' ' A' ' 3' ' ' SER . 28.5 t -63.13 -20.17 65.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -175.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -83.29 -40.45 19.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.052 0.454 . . . . 0.0 110.161 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -74.7 -9.6 58.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.699 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--O 1.245 0.852 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.962 176.205 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -129.8 129.94 44.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.104 0.478 . . . . 0.0 111.302 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -149.59 98.07 2.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.631 175.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 3.7 p30 -145.75 21.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.21 0.528 . . . . 0.0 110.371 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 p -53.45 -27.04 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.921 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mm -57.29 -45.68 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.688 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 63.9 pttt -71.32 -28.32 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.341 -174.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.51 46.22 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.365 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . 60.5 mmtt -101.87 16.61 25.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.502 ' CZ2' ' HB3' ' A' ' 32' ' ' ALA . 75.8 t-105 -48.85 -50.39 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -170.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.02 -17.78 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.956 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -98.54 -31.01 12.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.033 0.444 . . . . 0.0 110.26 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.494 ' HG ' ' HB2' ' A' ' 9' ' ' LYS . 64.9 mt -77.28 -16.33 59.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.735 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.559 HG22 ' HB3' ' A' ' 29' ' ' LEU . 3.9 p -55.75 -36.63 67.51 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.14 -27.35 68.55 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.568 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -86.26 -30.09 22.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 13' ' ' LEU . 85.3 mt -64.69 -42.56 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 173.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 57.6 tttm -70.1 -19.97 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.236 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -75.86 -42.86 48.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.833 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -45.28 52.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.854 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.441 ' CE3' HG23 ' A' ' 17' ' ' ILE . 5.1 m-90 -120.14 102.71 8.7 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.16 -5.24 89.75 Favored Glycine 0 N--CA 1.452 -0.246 0 N-CA-C 114.811 0.684 . . . . 0.0 114.811 -168.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -92.88 -11.08 34.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.894 0.847 . . . . 0.0 110.717 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 81.3 mt -82.04 117.65 22.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.968 176.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.0 p -84.03 166.38 17.79 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.208 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 p30 -67.19 -24.89 65.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.205 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.3 -33.89 70.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.665 0.269 . . . . 0.0 110.907 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -70.39 -30.34 67.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.109 0.48 . . . . 0.0 110.335 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.559 ' HB3' HG22 ' A' ' 14' ' ' THR . 66.0 mt -95.75 -48.7 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.608 -175.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.444 ' HG2' HG21 ' A' ' 14' ' ' THR . 93.7 mt-30 -78.84 59.64 2.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.05 0.452 . . . . 0.0 110.181 -177.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.72 22.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.606 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.502 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . . . -132.37 171.85 13.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -168.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.29 -56.04 17.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.495 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.27 -27.64 6.03 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.192 -1.004 . . . . 0.0 114.019 174.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 19.3 p-80 -68.19 158.65 32.77 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 117.868 0.834 . . . . 0.0 111.325 -174.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.56 -44.29 56.61 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -166.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 34.0 mm-40 -60.06 -26.89 66.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -74.42 -31.87 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.606 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.5 mp -62.12 -44.67 96.13 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 174.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.575 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 46.5 t -56.09 -44.25 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.275 177.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.84 -47.98 88.54 Favored Glycine 0 C--O 1.227 -0.333 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.053 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -60.64 -35.77 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 95.5 mt -68.84 -28.71 66.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.874 0.369 . . . . 0.0 110.646 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 8.1 mm-40 -79.6 -46.23 17.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.137 0.494 . . . . 0.0 110.044 175.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.29 -48.33 82.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.44 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -81.32 -46.36 14.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.238 -174.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.412 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 89.1 m-85 -102.88 -76.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.867 0.365 . . . . 0.0 110.998 -176.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.8 73.45 0.53 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.724 -175.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -114.91 -168.69 1.42 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -87.67 155.15 20.07 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 169.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HG3' HG11 ' A' ' 40' ' ' VAL . 55.9 tttm -67.02 -31.8 72.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -55.02 -53.94 49.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.0 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 53' ' ' ARG . 15.5 ttm-85 -67.25 -45.5 76.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.495 -177.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.25 -46.18 83.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.216 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 38.0 mt-10 -67.46 -37.73 83.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.618 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -58.3 -43.48 88.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.686 0.279 . . . . 0.0 110.527 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.69 84.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.754 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 54' ' ' ALA . 99.1 t -66.05 -41.11 89.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.443 175.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 31.9 mmt180 -58.37 -44.04 88.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.822 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.77 -42.24 88.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.224 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.54 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 52.6 t80 -64.62 -50.99 64.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.88 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.2 m -62.54 -31.27 72.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.959 0.409 . . . . 0.0 110.802 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.75 -43.43 93.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.005 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.51 17.72 3.09 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 76.3 mt . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.328 -0.844 . . . . 0.0 109.847 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.7 mtm . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 63.24 86.4 0.12 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.173 0.511 . . . . 0.0 110.318 -178.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -96.26 -9.99 29.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.838 -176.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -103.31 141.2 36.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.767 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.8 m -125.1 5.02 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.679 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.5 mt -90.36 -26.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.973 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -55.15 -31.57 61.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.356 174.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.55 138.75 14.58 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.406 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.626 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 98.5 mttt 65.09 20.63 12.08 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 122.788 0.435 . . . . 0.0 110.692 -175.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.487 ' CD2' ' HA3' ' A' ' 34' ' ' GLY . 67.4 t-105 -56.76 -41.65 77.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.656 -177.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -8.24 55.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 111.476 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -98.82 -35.88 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.109 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 79.9 mt -76.31 -9.12 58.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.654 -175.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.0 p -53.23 -38.35 62.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.468 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.17 -42.67 99.73 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.137 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -64.15 -42.92 96.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 0.0 110.626 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 13' ' ' LEU . 63.9 mt -65.52 -50.61 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.212 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -64.34 -24.91 67.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.023 0.44 . . . . 0.0 110.507 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.42 -36.62 71.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -82.74 -57.42 3.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.95 0.405 . . . . 0.0 110.465 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -107.46 99.34 8.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.16 -177.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.02 -14.65 71.07 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.416 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 27.2 t70 -83.27 -22.4 33.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.288 0.544 . . . . 0.0 110.387 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 46' ' ' ARG . 43.5 mt -76.42 107.76 8.91 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.147 0.499 . . . . 0.0 109.782 175.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.4 p -78.78 158.47 28.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.849 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -73.28 -12.64 60.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.88 -42.51 81.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.847 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -65.15 -39.76 93.45 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.004 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.1 mt -74.87 -43.05 56.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.047 -176.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -77.55 -4.78 47.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.24 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.58 -62.89 1.27 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -175.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.28 -84.32 0.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -135.17 148.35 49.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.051 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA3' ' CD2' ' A' ' 10' ' ' TRP . . . -120.18 145.01 17.54 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.684 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.551 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 8.0 p80 -175.32 166.84 3.38 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.21 -55.8 2.56 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.791 0.682 . . . . 0.0 112.8 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 20.4 mp0 -60.5 -31.32 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.779 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -75.42 -37.49 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.617 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 8.7 mp -59.26 -51.13 71.28 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.5 t -53.65 -45.64 60.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.675 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.16 -52.72 50.8 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.596 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -67.44 -30.08 69.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 74.1 mt -66.43 -37.17 84.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.56 0.219 . . . . 0.0 110.48 176.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -76.69 -29.96 56.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.69 -56.47 5.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.269 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -71.4 -57.43 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.343 -176.595 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 68.2 m-85 -90.24 -60.18 2.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.975 0.417 . . . . 0.0 111.043 -177.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.22 49.8 1.67 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.894 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.467 ' HB3' ' HD2' ' A' ' 53' ' ' ARG . 8.8 m0 -86.52 177.43 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -71.73 149.77 45.1 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 88.0 tttt -56.86 -43.7 81.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.557 0.218 . . . . 0.0 110.903 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.82 -47.27 83.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.53 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HD2' ' HB3' ' A' ' 49' ' ' TRP . 18.0 ttm180 -61.25 -41.48 96.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.185 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.13 -47.33 86.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.768 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 44.5 mt-10 -55.73 -45.44 77.97 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.799 177.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -46.42 88.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.619 178.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.8 -38.51 91.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.375 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 54' ' ' ALA . 75.0 t -62.29 -48.02 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 0.0 110.802 177.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -65.85 -40.08 91.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.522 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.65 -35.07 75.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.498 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.46 ' CE2' HD21 ' A' ' 65' ' ' LEU . 87.1 t80 -75.77 -43.21 47.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.755 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.533 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 23.2 t -60.0 -30.5 69.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.032 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -61.86 -31.66 71.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.079 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.1 mpt_? -99.45 18.28 18.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -176.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.537 HD22 HD22 ' A' ' 13' ' ' LEU . 82.1 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.438 -0.792 . . . . 0.0 109.439 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -137.4 -73.59 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.192 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -103.02 5.53 38.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.323 0.582 . . . . 0.0 110.224 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.61 -31.84 71.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.496 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.673 HG23 HG13 ' A' ' 6' ' ' ILE . 15.5 m -59.81 -41.81 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -175.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.673 HG13 HG23 ' A' ' 5' ' ' VAL . 14.6 mt -89.85 -33.47 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.978 0.418 . . . . 0.0 110.86 -175.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -79.54 -41.59 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.287 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.29 -29.03 60.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.223 -175.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -120.47 31.93 6.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.318 0.58 . . . . 0.0 110.561 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -50.78 -48.53 59.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.03 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -68.3 -25.54 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.917 0.389 . . . . 0.0 111.068 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -83.16 -29.13 28.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.047 0.451 . . . . 0.0 110.532 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 17' ' ' ILE . 87.8 mt -84.42 -5.95 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.798 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 29' ' ' LEU . 18.0 p -47.02 -54.85 9.3 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -176.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.43 -42.8 99.85 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.252 -0.499 . . . . 0.0 112.92 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -66.7 -39.42 88.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.784 0.326 . . . . 0.0 111.224 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.466 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 84.9 mt -65.58 -46.58 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.813 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 48.0 tttm -69.78 -19.55 63.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.079 0.466 . . . . 0.0 110.606 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -78.07 -25.93 47.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.271 0.558 . . . . 0.0 109.979 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 20' ' ' ARG . 22.0 ttt180 -85.2 -52.51 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.466 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 3.1 m-90 -112.24 94.53 4.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.363 178.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.05 -24.65 75.81 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.555 -0.748 . . . . 0.0 113.773 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.504 ' OD2' ' HG3' ' A' ' 46' ' ' ARG . 38.3 t70 -72.43 -27.67 62.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.972 0.386 . . . . 0.0 111.182 -175.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.676 HD13 HD21 ' A' ' 29' ' ' LEU . 95.3 mt -64.54 120.2 11.9 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 175.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 p -79.41 169.0 18.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.168 0.509 . . . . 0.0 111.726 -174.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -69.41 -11.52 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.043 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -85.85 -50.23 7.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.926 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -57.42 -42.71 82.88 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.667 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.676 HD21 HD13 ' A' ' 24' ' ' LEU . 86.8 mt -85.67 14.05 6.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.756 -175.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -141.23 18.03 2.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.242 0.544 . . . . 0.0 110.279 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.9 -85.51 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.777 -176.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.14 -95.96 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -145.19 -171.55 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.79 37.06 2.69 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.271 -0.966 . . . . 0.0 114.096 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 19.7 p-80 -77.54 147.15 35.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -40.64 26.33 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -168.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.568 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 57.9 mm-40 -57.78 -34.27 69.41 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -71.76 -41.74 68.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.413 -177.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 44.2 mt -59.16 -53.35 59.3 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.265 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 54' ' ' ALA . 90.3 t -52.81 -45.85 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.572 0.545 . . . . 0.0 110.828 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.45 -48.74 83.25 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.414 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -67.53 -30.87 70.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.576 0.226 . . . . 0.0 111.594 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 77.9 mt -70.86 -39.33 72.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.695 0.283 . . . . 0.0 110.734 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 24.7 mt-30 -72.76 -26.37 61.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.02 0.438 . . . . 0.0 110.193 175.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.98 -55.91 4.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.981 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -72.32 -57.45 4.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.204 -174.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -84.22 -52.03 6.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.916 0.389 . . . . 0.0 110.951 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 103.07 38.7 2.82 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.887 -178.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 53' ' ' ARG . 46.1 m0 -83.3 169.85 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.728 0.299 . . . . 0.0 110.316 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.8 p -81.75 165.59 20.8 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -59.99 -43.31 95.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.261 -176.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.582 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 1.3 mp0 -64.6 -42.52 95.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.601 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' TRP . 56.7 ttm-85 -65.2 -39.66 93.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.41 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.471 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -64.48 -44.62 90.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.189 177.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -54.84 -45.04 74.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.014 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -58.97 -51.55 69.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.783 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -62.17 -47.63 83.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.26 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.49 -44.34 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.144 0.497 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttm105 -68.82 -39.62 79.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.189 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 34.2 t70 -70.67 -28.49 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.804 178.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -73.03 -43.77 61.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.361 . . . . 0.0 110.065 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 t -64.65 -20.89 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.532 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' ASP . 11.6 t70 -64.24 -28.7 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.466 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -102.38 9.32 39.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.118 0.485 . . . . 0.0 111.134 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.166 -178.12 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.234 0.262 0 CA-C-O 121.176 0.512 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -74.22 -43.5 50.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.187 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -63.88 -26.56 68.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.59 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.3 -51.76 9.54 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.363 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 73.5 mmtt -100.52 29.19 4.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.527 0.203 . . . . 0.0 110.621 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.626 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 62.3 t-105 -55.59 -56.31 21.84 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -170.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -70.51 -6.93 39.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.198 0.523 . . . . 0.0 111.019 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.51 -39.2 9.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.637 175.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 93.7 mt -76.78 -16.86 59.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.663 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 10' ' ' TRP . 8.3 p -47.63 -50.23 25.03 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.363 0.415 . . . . 0.0 111.789 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.76 -36.68 93.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.548 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -73.88 -30.1 62.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.921 0.391 . . . . 0.0 110.641 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 13' ' ' LEU . 79.4 mt -72.03 -41.74 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.288 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.775 ' HD2' ' HB2' ' A' ' 26' ' ' ASP . 85.8 tttt -63.12 -31.93 73.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.368 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.45 -43.07 61.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.118 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -65.17 -47.27 77.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.355 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -120.76 100.73 7.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.981 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.68 -25.85 71.81 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.981 -0.554 . . . . 0.0 113.442 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.522 ' OD2' ' HB3' ' A' ' 46' ' ' ARG . 33.8 t70 -72.39 -20.34 61.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 111.343 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 mt -78.1 126.93 31.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.247 0.546 . . . . 0.0 110.82 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.433 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 5.7 m -79.81 127.37 32.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.679 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.775 ' HB2' ' HD2' ' A' ' 18' ' ' LYS . 19.1 t70 -56.7 -43.7 80.78 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.963 0.411 . . . . 0.0 110.924 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.95 -36.35 72.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.148 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.78 -36.76 67.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 25' ' ' THR . 72.5 mt -68.96 -47.55 65.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.957 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -75.51 46.47 0.35 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.27 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.83 -91.21 0.32 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.96 -79.64 0.33 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.478 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 4.6 m-20 -51.78 -48.61 63.71 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -168.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.626 ' HA2' ' CE2' ' A' ' 10' ' ' TRP . . . 77.85 -59.58 3.83 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.814 -0.708 . . . . 0.0 114.547 172.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.468 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 24.1 p-80 -50.58 165.11 0.11 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -174.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.58 ' HA ' HD13 ' A' ' 39' ' ' LEU . . . -44.98 -43.03 8.76 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -170.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 11.5 mm-40 -61.5 -20.25 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CD1' ' HB2' ' A' ' 33' ' ' ASP . 43.7 t80 -81.34 -32.93 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.58 HD13 ' HA ' ' A' ' 36' ' ' ALA . 7.4 mp -61.33 -47.31 86.48 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.556 HG11 ' HG3' ' A' ' 51' ' ' LYS . 90.1 t -55.66 -44.97 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.365 177.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.15 -44.83 96.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.59 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -72.75 -32.73 65.87 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.743 -0.269 . . . . 0.0 111.458 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 92.9 mt -65.48 -34.2 77.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 110.099 175.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 14.5 mm100 -74.2 -40.12 62.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.266 175.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.77 -49.16 69.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.793 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.522 ' HB3' ' OD2' ' A' ' 23' ' ' ASP . 18.2 mmm180 -77.62 -65.08 1.01 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.437 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -80.4 -74.01 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.944 0.402 . . . . 0.0 110.763 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.14 66.18 0.65 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.591 -175.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -103.17 -168.6 1.53 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.6 p -86.31 148.65 25.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 164.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.556 ' HG3' HG11 ' A' ' 40' ' ' VAL . 82.3 tttt -59.0 -36.67 75.32 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.854 -177.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.0 -40.64 96.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.001 0.429 . . . . 0.0 110.842 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 71.1 ttt180 -67.43 -40.09 85.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.908 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.44 -46.69 87.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.365 176.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 47.7 mt-10 -52.82 -46.12 67.58 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -60.18 -44.73 94.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.128 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 10.4 mm-40 -72.4 -35.07 68.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 54' ' ' ALA . 73.6 t -64.29 -44.0 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 110.719 176.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 59' ' ' ARG . 69.5 mtm-85 -71.65 -23.59 61.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.763 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 57' ' ' GLU . 9.8 t70 -63.39 -45.89 88.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.891 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 90.0 t80 -65.25 -36.15 83.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.161 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.6 m -64.98 -31.07 72.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.595 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.81 -28.4 65.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.363 0.602 . . . . 0.0 110.051 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -79.54 -8.36 59.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.77 -179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 81.6 mt . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.59 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 m . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.08 -43.04 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.152 0.501 . . . . 0.0 109.987 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -53.34 -33.79 54.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.491 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.95 -45.7 4.73 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.773 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HD2' ' OE1' ' A' ' 12' ' ' GLN . 33.9 mmtp -93.0 30.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.514 -0.403 . . . . 0.0 110.703 -176.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -51.2 -59.79 3.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.645 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -67.33 -24.89 65.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.262 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.436 ' OE1' ' HD2' ' A' ' 9' ' ' LYS . 51.9 mt-30 -75.43 -37.96 60.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.146 0.498 . . . . 0.0 110.03 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.26 3.28 36.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.072 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.2 p -54.37 -51.94 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.069 0.461 . . . . 0.0 111.332 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.98 -25.73 75.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.454 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 48.5 tptt -77.15 -40.08 46.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.034 0.445 . . . . 0.0 110.116 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.5 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 87.7 mt -64.49 -37.46 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.773 174.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 29.3 ttpp -67.2 -22.12 65.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.579 176.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -86.12 -41.96 14.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.95 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 20' ' ' ARG . 15.1 tpt180 -61.63 -51.39 68.69 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.31 -176.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.5 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 12.0 m-90 -92.85 -42.85 9.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.865 0.364 . . . . 0.0 111.161 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 18' ' ' LYS . . . 100.42 -50.78 1.05 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.123 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.83 -8.71 59.56 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -173.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 24' ' ' LEU . 48.0 mt -78.93 108.52 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.025 0.44 . . . . 0.0 110.607 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 1.2 p -68.44 124.94 24.93 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.768 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 9.1 p-10 -64.72 -23.79 67.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.822 -177.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.89 -38.61 82.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.381 0.61 . . . . 0.0 109.704 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.533 ' O ' ' HE2' ' A' ' 42' ' ' LYS . 6.5 m-20 -86.55 -11.84 50.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.569 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 25' ' ' THR . 97.0 mt -89.15 -28.74 19.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.698 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 26' ' ' ASP . 55.6 mt-30 -67.35 97.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.5 -164.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.692 -172.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.13 -76.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.215 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -92.32 154.43 18.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.844 0.354 . . . . 0.0 111.797 -176.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -113.04 8.58 25.22 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.914 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.14 146.69 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.579 0.228 . . . . 0.0 111.071 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 39' ' ' LEU . . . -53.09 -32.05 45.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.337 -174.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.49 -23.12 64.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -77.1 -38.35 52.45 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.972 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 36' ' ' ALA . 7.0 mp -58.99 -43.44 91.43 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.618 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 92.6 t -54.42 -46.26 70.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.533 176.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.73 -45.3 95.02 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.711 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.533 ' HE2' ' O ' ' A' ' 28' ' ' ASP . 40.1 mmtm -73.99 -30.41 62.47 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.683 -0.304 . . . . 0.0 111.464 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 86.4 mt -64.73 -35.99 82.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.228 174.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 13.1 mm100 -71.58 -35.22 70.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.123 0.487 . . . . 0.0 109.909 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.96 -39.42 87.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.877 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -87.57 -59.97 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -91.66 -71.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.958 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.34 75.44 1.07 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -173.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -106.12 -168.83 1.49 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.973 0.416 . . . . 0.0 110.234 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -80.63 150.0 29.63 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 170.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.548 ' HD2' HG11 ' A' ' 40' ' ' VAL . 29.2 tptp -50.87 -50.82 56.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 0.0 110.9 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 31.0 tt0 -69.47 -35.5 75.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.15 99.24 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.82 -41.8 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.331 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -60.27 -45.01 94.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.904 177.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 27.8 mt-30 -58.24 -37.7 75.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.988 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.03 -35.7 69.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.516 HG13 HD22 ' A' ' 39' ' ' LEU . 58.0 t -68.2 -36.6 75.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.519 0.676 . . . . 0.0 109.593 174.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 59' ' ' ARG . 21.2 ttt85 -64.62 -37.81 88.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.761 176.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.49 ' CG ' HH22 ' A' ' 64' ' ' ARG . 13.1 t70 -58.55 -46.72 86.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.305 175.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.77 -30.53 70.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.075 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.2 m -73.84 -25.63 60.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.253 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -72.14 -32.85 67.29 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.13 0.491 . . . . 0.0 110.96 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.49 HH22 ' CG ' ' A' ' 60' ' ' ASP . 7.1 mtm180 -125.19 36.79 4.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.272 -177.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.296 -0.859 . . . . 0.0 108.777 176.819 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.225 -0.229 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.6 mm -91.9 -37.07 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 110.455 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.522 ' HG2' ' HB3' ' A' ' 35' ' ' HIS . 37.5 mtmm -72.95 -16.36 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.24 131.3 10.58 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.64 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 67.02 28.82 8.31 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.401 ' HZ3' HD11 ' A' ' 39' ' ' LEU . 42.6 t-105 -47.99 -48.72 32.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.263 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -74.14 -4.65 37.06 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.733 -0.387 . . . . 0.0 112.016 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -98.5 -17.31 18.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.542 0.686 . . . . 0.0 109.66 174.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.48 -4.75 57.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.211 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -56.65 -53.99 51.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.381 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.24 -27.07 71.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.183 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 61' ' ' PHE . 45.1 tptt -73.12 -39.97 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.985 0.422 . . . . 0.0 110.583 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.433 HG23 ' CE3' ' A' ' 21' ' ' TRP . 79.0 mt -70.81 -44.15 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.147 0.499 . . . . 0.0 110.333 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.89 -35.52 76.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.235 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.05 -34.95 72.52 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.003 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -84.69 -68.35 0.73 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.763 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.472 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 4.4 m-90 -82.26 -24.83 34.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -169.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.15 -58.7 3.98 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.86 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.13 -31.0 72.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.949 0.374 . . . . 0.0 111.045 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.44 HD11 ' CD2' ' A' ' 43' ' ' LEU . 42.5 mt -67.02 111.26 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 44.6 p -79.04 149.57 32.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.307 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -68.43 -18.34 64.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.32 -51.26 69.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.298 172.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -62.26 -40.69 97.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.128 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 25' ' ' THR . 66.7 mt -73.47 -21.54 60.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.118 -176.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -87.49 20.07 3.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.507 0.67 . . . . 0.0 110.433 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.52 -76.69 0.56 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.472 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.34 -165.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -168.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -69.19 0.2 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.495 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.58 110.26 2.23 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.557 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.532 ' ND1' ' HB3' ' A' ' 37' ' ' GLU . 1.9 p80 -173.63 157.57 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HA ' HD13 ' A' ' 39' ' ' LEU . . . -54.23 -37.64 64.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.301 0.572 . . . . 0.0 111.227 -174.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.532 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 36.2 tt0 -60.47 -33.52 72.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.026 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.484 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 77.6 t80 -74.49 -32.27 62.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.221 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 10.7 mp -59.7 -45.93 90.63 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.302 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 55' ' ' GLU . 46.8 t -56.5 -45.11 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.326 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.95 -45.46 95.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.219 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.528 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -60.78 -41.25 95.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.693 0.283 . . . . 0.0 111.061 178.01 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 93.4 mt -65.43 -35.93 82.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 13.4 mm-40 -75.12 -38.27 61.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.042 0.449 . . . . 0.0 110.609 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.04 -44.18 77.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.047 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.705 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -83.25 -58.21 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.408 -179.341 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -86.29 -67.22 0.83 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.169 0.509 . . . . 0.0 111.423 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.45 53.77 1.79 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.472 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 20.5 m0 -82.92 179.84 7.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 110.902 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.423 ' HB3' ' OE1' ' A' ' 52' ' ' GLU . 17.3 m -66.55 143.56 56.97 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 168.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -62.1 -42.78 99.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -169.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' OE1' ' HB3' ' A' ' 50' ' ' SER . 0.4 OUTLIER -72.04 -29.43 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.531 -177.825 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ttm-85 -65.92 -48.11 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.515 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.54 -50.72 72.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.7 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' HG2' HG21 ' A' ' 40' ' ' VAL . 42.7 mt-10 -64.24 -43.25 95.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.919 -178.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.36 -40.81 95.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.261 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.5 -33.1 74.93 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.899 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 54' ' ' ALA . 98.9 t -64.38 -45.17 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.421 . . . . 0.0 110.035 174.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -61.89 -42.96 99.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.855 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.9 -43.3 99.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.464 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 87.2 t80 -57.33 -46.26 83.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.604 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -68.89 -29.57 67.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.16 -37.8 84.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.984 0.421 . . . . 0.0 110.853 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -91.29 14.0 15.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.317 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.599 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.0 mm -78.09 -20.42 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.457 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -70.03 -24.04 63.21 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.499 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.9 140.56 15.48 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.653 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.8 mttp 69.88 17.11 7.61 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.008 0.523 . . . . 0.0 110.639 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.509 ' O ' HG23 ' A' ' 14' ' ' THR . 60.2 t-105 -50.47 -41.84 53.64 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.579 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -54.84 -39.34 68.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.6 tm0? -86.91 -35.45 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.991 -177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 87.8 mt -61.19 -26.31 67.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.862 -177.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.536 HG21 ' HB2' ' A' ' 30' ' ' GLN . 42.9 p -50.34 -39.93 47.67 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.746 0.308 . . . . 0.0 111.691 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.95 -39.65 98.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.54 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.95 -29.65 58.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.904 0.383 . . . . 0.0 110.688 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 13' ' ' LEU . 70.5 mt -67.15 -42.54 88.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.32 0.581 . . . . 0.0 109.749 174.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD2' ' HA2' ' A' ' 22' ' ' GLY . 21.0 tptm -65.03 -38.35 90.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.926 174.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.3 -43.07 82.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.847 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 20' ' ' ARG . 10.7 mmm-85 -71.18 -69.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.975 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.441 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . 15.5 m-90 -85.47 -44.6 12.59 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -168.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' HA2' ' HD2' ' A' ' 18' ' ' LYS . . . 85.04 -43.87 3.31 Favored Glycine 0 C--N 1.313 -0.722 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.296 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 6.5 m-20 -67.75 -23.28 65.22 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.914 0.357 . . . . 0.0 111.008 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.9 mt -74.6 109.53 8.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.226 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.729 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -57.71 128.99 39.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.225 175.698 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.74 -30.91 69.64 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.244 -0.285 . . . . 0.0 110.864 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -69.88 -22.6 63.22 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.037 0.446 . . . . 0.0 110.301 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.729 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 2.4 t70 -78.93 -41.1 30.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.644 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -74.03 -48.83 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.069 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.536 ' HB2' HG21 ' A' ' 14' ' ' THR . 10.4 tt0 -79.99 87.42 5.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.24 0.543 . . . . 0.0 109.739 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.73 -66.44 0.13 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.18 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.37 -153.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.94 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.35 -70.04 0.16 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.275 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.15 -20.51 3.77 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.802 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -46.91 142.3 3.54 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.557 0.178 . . . . 0.0 111.018 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.27 -32.88 57.34 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -170.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 37' ' ' GLU . 2.0 mp0 -57.67 -28.59 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -75.03 -38.27 61.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.46 -42.94 98.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.573 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.514 HG13 ' HB3' ' A' ' 54' ' ' ALA . 88.6 t -56.94 -46.25 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.459 175.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.78 -45.1 97.12 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.648 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.486 ' HD2' ' OD2' ' A' ' 28' ' ' ASP . 27.7 mmtp -69.61 -29.84 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.717 -0.284 . . . . 0.0 111.368 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.91 -37.78 86.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.046 0.451 . . . . 0.0 109.962 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.573 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 46.9 mt-30 -76.07 -14.92 60.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.195 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -90.96 -53.42 4.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.625 0.25 . . . . 0.0 110.898 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -73.98 -49.21 25.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 111.051 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.441 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 59.3 m-85 -92.17 -34.52 14.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.012 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.573 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 78.38 39.62 21.89 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.247 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -83.16 173.52 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 111.141 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.87 156.08 40.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.463 173.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 14.9 tmtt? -61.29 -51.83 67.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.744 0.307 . . . . 0.0 110.96 -175.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.77 -32.38 70.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 110.416 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 19.8 ttm180 -60.36 -46.67 89.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.232 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.514 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -61.79 -39.01 90.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.739 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 46.7 mt-10 -58.56 -46.67 86.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -61.25 -38.54 87.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.265 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 9.7 mm-40 -66.17 -42.05 89.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.698 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 54' ' ' ALA . 68.4 t -65.01 -32.6 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.18 0.514 . . . . 0.0 110.335 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 59' ' ' ARG . 22.1 ttm180 -64.03 -40.71 96.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.273 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.13 -42.68 99.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.303 0.573 . . . . 0.0 110.061 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.538 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 77.9 t80 -63.67 -46.26 86.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.782 178.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 65' ' ' LEU . 25.6 m -68.42 -29.7 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.589 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.56 -46.51 88.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.947 0.404 . . . . 0.0 111.184 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -87.84 16.06 6.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.699 -175.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 88.1 mt . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.563 172.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 36' ' ' ALA . 43.0 mt -91.84 -17.08 7.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 121.378 0.609 . . . . 0.0 110.613 -176.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 35' ' ' HIS . 4.2 ttpm? -67.01 -11.83 58.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.419 0.628 . . . . 0.0 110.087 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.6 177.87 21.44 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.8 mptp? 60.91 15.86 6.41 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.294 0.547 . . . . 0.0 111.407 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 33.7 t-105 -54.72 -41.53 70.45 Favored 'General case' 0 C--N 1.333 -0.121 0 O-C-N 123.166 0.291 . . . . 0.0 111.42 -174.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -61.99 -23.84 66.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.832 0.349 . . . . 0.0 111.347 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -92.81 -25.65 18.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.893 0.378 . . . . 0.0 110.637 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 17' ' ' ILE . 87.8 mt -82.34 -38.44 24.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.597 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 10' ' ' TRP . 1.7 t -50.84 -39.21 52.8 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.02 -35.69 91.8 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.038 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 41.8 tttm -89.45 -18.86 25.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.129 0.49 . . . . 0.0 110.382 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 13' ' ' LEU . 83.5 mt -69.48 -43.72 80.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.9 -28.12 68.7 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.944 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 26.3 tt0 -62.59 -48.11 80.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.972 174.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 20' ' ' ARG . 21.6 ttt180 -70.88 -67.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.424 ' CE3' HG23 ' A' ' 17' ' ' ILE . 13.2 m-90 -89.83 99.19 12.24 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.46 -1.45 29.18 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 113.94 -173.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 28.7 t70 -102.67 -11.63 18.27 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.247 -0.561 . . . . 0.0 110.546 179.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD11 ' CD2' ' A' ' 43' ' ' LEU . 49.4 mt -83.71 99.06 10.0 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.08 150.84 30.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.198 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.03 -8.94 53.35 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.328 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.93 -35.23 76.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.481 0.658 . . . . 0.0 109.755 172.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.76 -31.99 16.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.224 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.66 10.11 8.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.768 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -63.12 122.59 16.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HB2' ' CD1' ' A' ' 10' ' ' TRP . . . -68.06 90.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -172.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.03 -47.47 8.9 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 168.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -137.56 97.94 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.246 -0.888 . . . . 0.0 108.964 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.54 108.75 3.07 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.987 -169.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 1.8 p80 -173.26 163.92 4.65 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.689 0.396 . . . . 0.0 110.125 173.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' HB2' ' HB ' ' A' ' 6' ' ' ILE . . . -63.66 -40.31 96.51 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -173.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.481 ' CD ' ' H ' ' A' ' 37' ' ' GLU . 1.8 mp0 -58.18 -29.96 66.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.816 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.486 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 66.0 t80 -69.78 -37.3 76.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.902 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 42.5 tp -62.89 -43.55 98.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.82 176.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.453 HG22 HG21 ' A' ' 58' ' ' VAL . 57.3 t -56.01 -46.86 80.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.128 176.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.34 -44.64 97.34 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.31 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 69.5 mmtt -67.34 -30.35 70.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.579 0.228 . . . . 0.0 111.498 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 93.5 mt -65.21 -32.84 74.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.959 0.409 . . . . 0.0 110.118 174.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -80.94 -24.68 37.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -80.12 -48.93 12.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.384 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -86.34 -49.02 7.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.767 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 23' ' ' ASP . 40.6 m-85 -87.49 -45.78 10.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.861 0.362 . . . . 0.0 110.738 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.55 38.36 5.89 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.045 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -83.19 163.72 20.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.11 0.481 . . . . 0.0 111.473 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.5 m -69.13 158.15 35.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.887 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -57.68 -54.02 51.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 -174.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.62 -40.05 92.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -177.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -59.63 -48.58 81.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.8 -48.14 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.08 -43.99 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.425 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 14.6 mm-40 -56.56 -36.81 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.558 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -82.47 -28.75 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.335 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 54' ' ' ALA . 75.9 t -64.13 -47.86 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.84 0.352 . . . . 0.0 110.283 174.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.503 ' HD2' ' OE1' ' A' ' 56' ' ' GLN . 4.4 ptp180 -72.77 -13.44 61.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -82.89 -32.02 27.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.293 0.568 . . . . 0.0 109.763 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.484 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 85.1 t80 -61.98 -41.93 98.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.017 175.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.527 ' HA ' HD12 ' A' ' 65' ' ' LEU . 30.3 m -69.55 -17.45 63.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.566 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.35 -31.43 63.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.597 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HD3' HH11 ' A' ' 64' ' ' ARG . 16.7 ttm180 -118.47 74.76 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.323 0.582 . . . . 0.0 110.378 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 62' ' ' SER . 54.0 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.908 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 CA--C 1.527 0.059 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mt -88.02 -19.43 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.577 0.703 . . . . 0.0 109.782 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HB2' ' HB3' ' A' ' 35' ' ' HIS . 61.7 tttp -67.0 -24.37 66.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.18 174.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.53 143.51 16.33 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.633 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 63.74 26.64 14.52 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 122.558 0.343 . . . . 0.0 111.504 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' THR . 71.4 t-105 -59.93 -30.34 68.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.032 0.444 . . . . 0.0 110.228 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -64.66 -23.28 67.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.615 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -98.8 -45.08 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.331 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 17' ' ' ILE . 74.8 mt -61.65 -25.26 67.27 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.47 -173.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.847 HG21 HE21 ' A' ' 30' ' ' GLN . 3.2 p -51.89 -42.1 62.45 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.129 0.268 . . . . 0.0 111.599 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.5 -42.52 98.92 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.2 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.44 -35.72 75.93 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.718 -0.283 . . . . 0.0 111.003 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.504 HD13 HD21 ' A' ' 39' ' ' LEU . 90.1 mt -65.31 -44.07 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.33 0.586 . . . . 0.0 109.875 176.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 58.0 tttm -61.58 -46.84 88.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.903 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.21 -15.62 59.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.758 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -68.71 -59.43 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.972 0.415 . . . . 0.0 110.596 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.419 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 12.3 m-90 -94.82 -32.65 13.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.735 -176.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.71 -48.44 1.1 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.51 -0.853 . . . . 0.0 114.105 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -83.83 -12.41 55.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 111.387 -174.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 93.7 mt -71.68 129.16 38.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.061 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.6 p -90.14 155.97 18.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.38 -36.62 84.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.062 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.5 -45.68 89.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.653 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -29.54 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.214 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HB3' HG22 ' A' ' 14' ' ' THR . 85.0 mt -85.95 -46.46 10.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.885 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.847 HE21 HG21 ' A' ' 14' ' ' THR . 19.2 mm-40 -65.58 -10.05 32.0 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -177.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.44 69.44 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.21 -163.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -167.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -78.44 -45.14 22.95 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.419 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.91 -127.15 4.49 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.289 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.701 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 20.4 p80 55.98 157.78 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.812 1.245 . . . . 0.0 113.56 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.73 -41.99 78.46 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -170.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.701 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 32.7 mm-40 -51.01 -37.64 46.35 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -73.7 -31.49 63.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.811 0.338 . . . . 0.0 110.482 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 76.2 mt -60.33 -48.44 81.75 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.87 176.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.5 t -54.19 -37.99 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.499 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.58 -57.41 12.84 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.234 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.551 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 10.6 mmpt? -61.47 -36.97 81.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.31 . . . . 0.0 111.601 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 96.2 mt -68.5 -33.76 74.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.107 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 82.6 mt-30 -81.34 -28.31 34.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.297 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -69.35 -59.57 2.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.133 0.492 . . . . 0.0 110.9 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -71.99 -48.8 42.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.299 -173.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -97.24 -70.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 107.48 49.65 0.85 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.956 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.419 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 5.7 m0 -84.31 164.76 18.8 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -59.6 149.29 30.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 173.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -40.46 80.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.641 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.95 -49.43 76.15 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.263 0.554 . . . . 0.0 110.151 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 53' ' ' ARG . 23.4 ttt180 -61.46 -35.94 79.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.943 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.42 -51.7 67.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.613 177.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.51 -42.48 78.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.051 0.453 . . . . 0.0 110.842 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -51.92 -53.88 35.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.099 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -68.48 -27.45 66.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.885 -176.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 54' ' ' ALA . 79.5 t -64.83 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.218 175.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -67.27 -38.08 84.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.31 -23.58 64.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.791 0.329 . . . . 0.0 110.73 178.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -69.02 -37.46 78.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.607 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 p -74.78 -2.69 27.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.765 0.316 . . . . 0.0 111.756 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.05 -50.86 9.14 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 172.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.466 ' C ' ' HE ' ' A' ' 64' ' ' ARG . 1.2 tpm_? -101.85 69.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.933 0.873 . . . . 0.0 108.986 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--O 1.247 0.946 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.652 178.671 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.48 -22.16 26.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.159 0.504 . . . . 0.0 110.307 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.539 ' HG2' ' HA ' ' A' ' 35' ' ' HIS . 92.3 mttt -60.21 -33.33 72.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.949 176.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.8 -14.65 10.02 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.641 -175.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -107.84 12.13 27.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 117.093 0.447 . . . . 0.0 111.345 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.651 ' HE1' ' HA ' ' A' ' 30' ' ' GLN . 68.3 t-105 -51.27 -55.1 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.936 0.346 . . . . 0.0 111.936 -176.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.583 ' HA ' HG23 ' A' ' 14' ' ' THR . 52.1 tttp -73.18 -17.26 61.39 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.829 -176.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -78.64 -20.2 50.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.216 0.531 . . . . 0.0 109.955 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.511 ' HB3' HG13 ' A' ' 17' ' ' ILE . 95.9 mt -105.77 7.64 32.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.371 -174.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.583 HG23 ' HA ' ' A' ' 11' ' ' LYS . 3.4 p -58.36 -32.63 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.495 ' O ' ' HG2' ' A' ' 19' ' ' GLU . . . -93.17 -38.27 5.44 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.778 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -63.69 -44.12 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.929 0.491 . . . . 0.0 111.765 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.511 HG13 ' HB3' ' A' ' 13' ' ' LEU . 76.7 mt -62.06 -38.2 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.076 0.465 . . . . 0.0 110.661 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -68.34 -28.98 67.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.57 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 15' ' ' GLY . 32.5 mm-40 -77.18 -33.11 56.5 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.819 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.57 -43.65 89.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.586 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 11.8 m-90 -111.78 -93.53 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.285 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.33 -47.12 0.61 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 119.452 -1.356 . . . . 0.0 114.432 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.63 -22.29 60.97 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 117.276 0.538 . . . . 0.0 110.824 -173.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.459 HD23 ' HG2' ' A' ' 46' ' ' ARG . 89.8 mt -64.3 116.83 6.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.462 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.4 p -82.51 172.66 12.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 111.233 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -71.81 -20.04 61.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.04 -173.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -83.13 -28.78 29.19 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.504 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -76.75 -24.3 52.98 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 174.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.431 ' O ' HG22 ' A' ' 14' ' ' THR . 81.9 mt -93.04 20.29 6.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.023 176.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.651 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . 21.2 tp60 -142.52 -179.64 6.42 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.593 ' H ' ' HG3' ' A' ' 30' ' ' GLN . . . 59.09 43.7 17.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.41 0.624 . . . . 0.0 110.074 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 10' ' ' TRP . . . -67.19 143.94 56.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.423 -173.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -79.42 -17.58 54.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 168.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 35' ' ' HIS . . . 93.02 56.28 1.51 Allowed Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.018 -0.992 . . . . 0.0 114.063 169.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.675 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 7.5 p80 174.3 155.51 0.13 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 117.046 0.423 . . . . 0.0 111.23 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.47 71.41 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.675 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 3.2 mp0 -58.36 -25.76 62.38 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.846 0.355 . . . . 0.0 111.166 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -72.57 -33.89 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 109.963 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 31.2 tp -69.43 -40.64 77.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.575 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.486 HG22 HG21 ' A' ' 58' ' ' VAL . 59.0 t -58.98 -46.64 91.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.059 175.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.57 -42.13 97.59 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.025 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 53.6 mmtt -63.91 -31.76 73.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 87.9 mt -68.76 -36.82 78.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.866 0.365 . . . . 0.0 110.492 176.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 50.9 mt-30 -76.35 -20.4 57.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.013 0.435 . . . . 0.0 110.834 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.37 -51.86 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.023 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.459 ' HG2' HD23 ' A' ' 24' ' ' LEU . 7.6 tpt180 -77.93 -46.23 21.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 -176.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -94.74 -52.07 4.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.853 0.358 . . . . 0.0 111.014 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 94.55 42.27 3.96 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.907 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -86.99 176.88 7.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.2 m -72.9 156.06 39.25 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.415 ' HB2' ' HE3' ' A' ' 51' ' ' LYS . 34.0 ttmt -59.25 -47.33 85.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.615 0.245 . . . . 0.0 111.213 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -62.34 -43.96 97.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.372 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -56.1 -42.32 76.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.108 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.59 -44.69 81.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.992 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.42 -42.78 88.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.804 0.335 . . . . 0.0 111.133 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -59.36 -42.86 92.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.978 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -65.3 -38.47 90.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.004 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.486 HG21 HG22 ' A' ' 40' ' ' VAL . 85.5 t -65.82 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.362 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -63.4 -33.24 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.609 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.53 -55.73 18.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.095 0.474 . . . . 0.0 109.847 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -58.79 -40.8 85.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.503 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.0 p -69.69 -19.36 63.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -74.77 -23.28 58.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.241 0.543 . . . . 0.0 110.06 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 7.8 35.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.004 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.772 -0.633 . . . . 0.0 110.498 -179.497 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.489 HG13 ' H ' ' A' ' 6' ' ' ILE . 4.1 p . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.489 ' H ' HG13 ' A' ' 5' ' ' VAL . 62.2 mt -91.92 -27.96 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.445 0.641 . . . . 0.0 110.029 177.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -56.52 -37.1 69.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.502 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 9' ' ' LYS . . . -113.74 144.41 18.18 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 33.8 mtmm 79.54 15.61 0.92 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.662 0.785 . . . . 0.0 110.215 -175.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.435 ' O ' HG23 ' A' ' 14' ' ' THR . 55.8 t-105 -50.82 -43.27 58.92 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.426 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -20.43 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.242 -176.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 12' ' ' GLN . 9.6 mm-40 -91.34 -30.39 16.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.195 0.522 . . . . 0.0 110.342 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.2 mt -81.52 -9.0 59.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.064 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 10' ' ' TRP . 15.6 p -46.49 -55.17 7.91 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -177.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.12 -31.18 75.83 Favored Glycine 0 CA--C 1.517 0.219 0 C-N-CA 121.113 -0.565 . . . . 0.0 113.139 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -82.93 -38.97 22.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.855 0.36 . . . . 0.0 110.305 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG23 ' HZ3' ' A' ' 21' ' ' TRP . 81.8 mt -62.99 -48.94 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.3 0.572 . . . . 0.0 109.695 175.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 43.9 tttm -53.57 -50.08 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.504 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -84.55 -5.85 59.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.373 -168.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.474 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 49.6 ttt-85 -74.81 -55.17 6.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.308 0.575 . . . . 0.0 109.674 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.457 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 20.7 m-90 -82.35 -36.13 27.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.0 -31.0 5.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.144 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.422 ' OD2' ' HB3' ' A' ' 46' ' ' ARG . 34.6 t70 -84.63 -34.66 23.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.174 0.487 . . . . 0.0 110.947 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.53 HD23 ' HG3' ' A' ' 46' ' ' ARG . 88.2 mt -57.71 130.06 44.7 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.399 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.3 p -96.77 160.05 14.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -71.38 -10.58 60.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.418 . . . . 0.0 109.891 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.41 -41.08 61.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.318 174.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -66.94 -30.67 70.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.189 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -92.06 7.99 39.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.716 -172.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -125.5 18.78 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.623 0.725 . . . . 0.0 109.349 175.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.45 -60.2 2.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.756 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.78 -157.7 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -167.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.551 ' HB3' ' HD2' ' A' ' 35' ' ' HIS . 15.8 t70 -50.81 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.81 -173.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' HA2' ' CD2' ' A' ' 10' ' ' TRP . . . 146.28 -23.64 1.72 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.439 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.551 ' HD2' ' HB3' ' A' ' 33' ' ' ASP . 3.6 p80 -50.25 132.23 24.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.8 0.3 . . . . 0.0 110.455 175.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.561 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -52.17 -33.47 40.67 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.611 0.569 . . . . 0.0 112.043 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 62.4 tt0 -50.84 -34.54 28.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.547 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -69.63 -42.35 74.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.171 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.781 HD11 HG22 ' A' ' 58' ' ' VAL . 2.4 pp -70.84 -22.12 62.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.498 HG22 HG21 ' A' ' 58' ' ' VAL . 93.8 t -60.61 -46.26 95.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.695 171.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.17 -35.59 92.28 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.738 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 54.6 mmtt -64.32 -35.31 80.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.554 0.216 . . . . 0.0 111.097 176.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 86.8 mt -67.04 -35.45 79.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.956 0.408 . . . . 0.0 110.086 176.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -71.78 -30.96 66.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.288 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.39 -59.21 2.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.055 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HG3' HD23 ' A' ' 24' ' ' LEU . 14.1 mmm180 -69.95 -44.72 68.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.637 -174.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -102.07 -61.62 1.36 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.83 0.347 . . . . 0.0 110.824 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.83 51.4 0.9 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.416 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.457 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 14.6 m0 -91.71 169.02 11.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.164 0.507 . . . . 0.0 110.89 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 m -74.62 158.16 34.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.443 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.17 -45.79 90.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.83 -172.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.17 -31.8 73.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.964 0.411 . . . . 0.0 111.437 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -75.12 -44.19 48.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.759 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -60.2 -44.58 95.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.827 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.89 -39.5 92.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.186 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.26 -42.41 98.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.767 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HG3' ' CZ3' ' A' ' 49' ' ' TRP . 46.3 mm-40 -60.92 -44.49 97.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.754 177.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.781 HG22 HD11 ' A' ' 39' ' ' LEU . 59.0 t -63.21 -43.95 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.456 177.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -62.08 -42.87 99.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.951 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -59.4 -45.81 90.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.077 0.465 . . . . 0.0 110.303 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.496 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 88.4 t80 -63.71 -49.36 73.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.984 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -67.07 -34.69 78.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.611 -175.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -70.75 -29.53 65.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.079 0.466 . . . . 0.0 110.424 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -93.42 13.08 22.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.499 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 70.7 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.107 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.325 0.583 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.508 ' HA ' HD12 ' A' ' 13' ' ' LEU . 30.7 mt -65.86 -27.88 42.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.42 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -58.59 -36.1 73.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.257 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.87 -52.48 1.39 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.99 -175.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -89.71 29.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.632 0.253 . . . . 0.0 111.62 -174.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -51.48 -45.28 62.75 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.988 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.86 -12.28 61.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -175.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -98.72 -28.63 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.224 0.535 . . . . 0.0 110.151 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 6' ' ' ILE . 92.5 mt -84.21 0.8 47.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.46 -176.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 p -54.04 -54.42 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.502 . . . . 0.0 110.728 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -72.23 -13.27 76.64 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.706 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -38.38 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.986 0.422 . . . . 0.0 110.193 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.518 HG23 ' CE3' ' A' ' 21' ' ' TRP . 76.1 mt -66.14 -44.99 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.376 0.608 . . . . 0.0 109.703 175.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.19 -33.9 72.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.527 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 20.7 tt0 -67.0 -26.95 67.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.785 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 20' ' ' ARG . 36.9 ttt85 -90.49 -71.3 0.63 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 -178.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.518 ' CE3' HG23 ' A' ' 17' ' ' ILE . 5.3 m-90 -82.89 -47.88 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 110.886 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.2 -39.11 2.87 Favored Glycine 0 C--N 1.314 -0.657 0 C-N-CA 120.923 -0.656 . . . . 0.0 114.366 172.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.68 -28.64 68.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 117.118 0.459 . . . . 0.0 110.686 -176.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.42 126.09 26.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.849 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.6 p -82.35 168.24 17.74 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.334 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.92 -27.91 68.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.206 0.527 . . . . 0.0 109.96 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.79 -31.25 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.992 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -70.81 -34.13 71.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.275 0.56 . . . . 0.0 110.292 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.5 mt -100.33 4.36 43.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.039 -171.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 6.8 tt0 -122.67 19.21 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.226 0.536 . . . . 0.0 110.453 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB3' ' OH ' ' A' ' 38' ' ' TYR . . . -99.83 -83.3 0.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.524 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . . . -99.31 -164.86 1.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -170.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -70.37 156.09 39.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.632 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.83 24.48 23.88 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.675 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 3.5 p80 -62.81 149.92 42.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.899 0.349 . . . . 0.0 110.401 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.43 68.35 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HB2' ' ND1' ' A' ' 35' ' ' HIS . 24.0 mm-40 -55.97 -28.81 58.72 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.834 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.524 ' CE1' ' HB3' ' A' ' 32' ' ' ALA . 53.3 t80 -70.66 -42.03 71.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.896 0.379 . . . . 0.0 110.372 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 7.9 mp -67.11 -46.76 73.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.751 176.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.515 ' HA ' ' HB1' ' A' ' 54' ' ' ALA . 77.2 t -53.91 -49.32 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.627 177.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.83 -44.9 97.48 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.807 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.618 ' HG2' ' OE1' ' A' ' 45' ' ' GLU . 17.4 mttm -72.23 -27.45 62.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.918 0.359 . . . . 0.0 111.925 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 92.0 mt -68.91 -31.87 71.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 173.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -77.45 -28.67 52.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.587 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.618 ' OE1' ' HG2' ' A' ' 42' ' ' LYS . 45.9 mt-10 -69.04 -63.21 1.1 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.123 0.487 . . . . 0.0 110.877 175.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -77.46 -46.15 23.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.185 -169.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.448 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 73.3 m-85 -95.95 -38.54 10.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 0.0 111.234 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.24 40.78 8.92 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.834 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -83.05 168.61 16.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 110.637 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.7 m -76.49 153.23 35.7 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 172.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.59 -38.93 89.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.559 0.219 . . . . 0.0 110.784 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.6 -44.59 81.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.187 0.518 . . . . 0.0 110.188 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -70.21 -41.61 73.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.582 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 40' ' ' VAL . . . -58.71 -51.62 69.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.349 177.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.67 -46.27 74.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 175.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -61.06 -44.9 96.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -64.96 -42.06 94.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.45 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 54' ' ' ALA . 93.3 t -64.18 -47.78 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.757 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -62.67 -32.69 73.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.464 0.65 . . . . 0.0 110.583 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 34.0 t70 -75.8 -31.58 59.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.789 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 60.1 t80 -64.32 -44.41 91.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.518 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.552 ' HA ' HD12 ' A' ' 65' ' ' LEU . 5.5 p -67.95 -14.65 63.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.855 0.36 . . . . 0.0 111.198 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.507 ' HB3' ' O ' ' A' ' 60' ' ' ASP . 21.4 t70 -68.18 -30.37 69.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -106.67 20.17 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.351 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 62' ' ' SER . 89.7 mt . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.337 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.7 mt -88.64 -4.35 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.921 -166.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -74.58 -5.51 43.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.738 . . . . 0.0 109.526 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -143.74 169.58 26.01 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.9 mttt 63.33 21.68 12.92 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.552 0.341 . . . . 0.0 111.286 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.557 ' CE2' ' HB3' ' A' ' 32' ' ' ALA . 57.3 t-105 -54.18 -46.8 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.675 -176.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -77.28 -13.01 60.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 0.0 110.783 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -98.62 -12.57 20.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -106.25 7.64 31.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.823 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 29' ' ' LEU . 17.2 p -56.96 -52.61 64.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.577 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.41 -35.28 91.84 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.468 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -65.26 -42.16 93.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.008 0.433 . . . . 0.0 110.149 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.489 HG23 ' CE3' ' A' ' 21' ' ' TRP . 98.8 mt -70.5 -45.95 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -63.35 -24.17 67.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.64 -37.79 87.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.282 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -84.58 -55.22 4.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.732 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.489 ' CE3' HG23 ' A' ' 17' ' ' ILE . 6.0 m0 -107.64 108.11 19.22 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.659 -175.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.07 -7.75 84.89 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.515 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.414 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 2.5 m-20 -83.86 -6.69 59.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.065 0.459 . . . . 0.0 110.634 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.4 mt -93.8 112.92 24.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.57 175.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.1 p -81.16 177.53 8.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.195 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.97 -37.33 76.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.265 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.02 -40.49 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.93 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -60.69 -38.21 84.21 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.818 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.495 ' HB3' HG22 ' A' ' 14' ' ' THR . 78.7 mt -92.4 -0.0 57.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.346 -176.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -101.32 -44.6 5.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.264 0.554 . . . . 0.0 109.53 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.65 95.5 9.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.269 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.557 ' HB3' ' CE2' ' A' ' 10' ' ' TRP . . . -172.68 144.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.98 174.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.05 -33.06 63.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.128 0.489 . . . . 0.0 109.968 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.8 87.88 1.95 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.688 -0.767 . . . . 0.0 113.195 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 1.5 p80 -174.0 149.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 171.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.468 ' HB1' HG11 ' A' ' 58' ' ' VAL . . . -53.06 -37.51 61.67 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.822 0.701 . . . . 0.0 112.259 -173.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.524 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 40.9 tt0 -59.05 -34.46 71.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.375 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.48 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 36.0 t80 -75.71 -26.97 58.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 110.213 -176.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 10.2 mp -68.18 -39.31 82.56 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 174.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.88 -43.74 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.568 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.528 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -60.81 -50.47 67.18 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.205 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -61.2 -39.54 90.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.777 0.289 . . . . 0.0 111.713 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 84.5 mt -66.6 -36.14 81.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.917 0.389 . . . . 0.0 110.432 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -46.78 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 176.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 51.7 mm-40 -73.39 -41.26 63.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.878 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -82.57 -60.84 2.06 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 23' ' ' ASP . 35.0 m-85 -75.88 -56.96 4.17 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.059 0.456 . . . . 0.0 111.222 -177.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.1 38.17 3.41 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.441 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 45.1 m0 -84.0 160.39 21.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.694 0.283 . . . . 0.0 110.485 177.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 p -68.45 155.32 40.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.37 -42.17 98.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.517 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.22 -43.77 98.34 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.937 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -64.85 -46.86 80.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.382 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -55.68 -53.95 50.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.574 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -49.0 -46.9 44.62 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.26 0.553 . . . . 0.0 111.315 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -66.38 -48.59 69.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.178 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.483 ' HA ' ' HB3' ' A' ' 60' ' ' ASP . 21.4 mt-10 -72.43 -23.85 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 54' ' ' ALA . 55.6 t -65.69 -46.25 89.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 0.0 110.211 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -69.81 -37.72 76.36 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.903 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 57' ' ' GLU . 19.7 t70 -56.65 -35.79 68.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.504 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -68.03 -43.67 78.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.377 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.415 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 20.0 m -67.52 -28.89 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.208 0.527 . . . . 0.0 110.56 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.14 -30.31 66.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.296 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -89.18 7.17 36.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.155 -177.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' ' 62' ' ' SER . 86.9 mt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.576 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 121.229 0.537 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.443 HG23 HD23 ' A' ' 13' ' ' LEU . 16.6 mt -85.81 2.7 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.777 -175.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' GLY . 53.7 mttm -77.31 -7.7 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.987 0.422 . . . . 0.0 110.36 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.28 172.37 23.84 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 178.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 mttm 64.2 16.98 10.43 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.699 0.4 . . . . 0.0 110.663 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -56.66 -39.7 74.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.188 -173.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -67.17 -23.75 65.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.799 0.333 . . . . 0.0 111.04 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -91.74 -29.97 16.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.924 0.392 . . . . 0.0 110.482 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.443 HD23 HG23 ' A' ' 6' ' ' ILE . 7.9 mp -72.81 -11.67 60.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.513 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -48.3 -67.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.66 -30.16 75.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.921 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -66.61 -44.53 81.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.987 0.422 . . . . 0.0 110.337 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.19 -38.51 70.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.283 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -55.23 -49.8 71.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.647 175.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -74.18 -18.98 60.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.151 0.5 . . . . 0.0 111.014 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -40.0 60.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.328 -178.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.509 ' HB2' HD12 ' A' ' 24' ' ' LEU . 4.8 m-90 -121.76 5.68 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 -177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.17 -71.67 1.45 Allowed Glycine 0 CA--C 1.519 0.305 0 C-N-CA 121.181 -0.533 . . . . 0.0 114.314 170.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.486 ' OD2' ' HD3' ' A' ' 46' ' ' ARG . 16.8 t70 -70.29 -24.03 62.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -171.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.57 HD23 ' HG3' ' A' ' 46' ' ' ARG . 27.9 mt -59.48 105.32 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.73 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.593 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 36.8 m -79.77 149.28 31.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.636 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.78 -39.14 65.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.22 -36.63 84.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.288 -176.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.593 ' OD2' ' HB ' ' A' ' 25' ' ' THR . 14.6 m-20 -69.72 -27.25 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.192 0.52 . . . . 0.0 110.848 -178.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.65 -48.15 7.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.731 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -71.5 4.25 3.2 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.319 0.58 . . . . 0.0 110.909 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.5 -64.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.21 -178.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.47 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . . . -117.32 -96.0 0.47 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -144.72 172.63 12.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 111.998 -170.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 7' ' ' LYS . . . -109.59 129.75 9.6 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.636 -0.711 . . . . 0.0 113.389 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 2.0 p80 178.94 153.33 0.38 Allowed 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 174.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.19 -47.87 12.49 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 37' ' ' GLU . 2.4 mp0 -58.49 -28.07 65.03 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.559 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 49.8 t80 -74.66 -39.71 61.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.5 mp -65.08 -48.33 74.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.601 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -52.85 -47.08 52.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.655 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.91 -47.24 91.94 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.623 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 69.3 mmtt -65.65 -32.42 73.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.729 0.265 . . . . 0.0 111.462 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 95.4 mt -66.07 -34.17 77.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 110.247 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.512 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 55.1 mt-30 -83.93 -15.02 49.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.0 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -82.72 -51.31 7.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.94 0.4 . . . . 0.0 110.434 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.57 ' HG3' HD23 ' A' ' 24' ' ' LEU . 4.4 mmp_? -70.84 -58.42 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.596 -177.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -98.12 -45.8 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.004 0.43 . . . . 0.0 111.21 -177.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 86.57 57.27 2.1 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.613 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.496 ' CZ3' ' HG3' ' A' ' 57' ' ' GLU . 25.2 m0 -84.38 174.02 10.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.985 0.421 . . . . 0.0 110.415 176.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 m -70.62 146.26 50.15 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 167.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.61 -35.26 75.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.817 0.341 . . . . 0.0 110.612 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.28 -43.2 99.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 53' ' ' ARG . 21.1 ttp-105 -68.49 -36.26 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.453 178.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.54 -45.04 94.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.609 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.51 -40.64 83.41 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.153 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -52.03 -56.12 16.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.208 0.528 . . . . 0.0 110.242 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.507 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 33.8 mm-40 -61.48 -40.46 94.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.487 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 54' ' ' ALA . 82.4 t -60.86 -46.51 96.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.721 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -66.72 -38.49 86.8 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.171 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.92 -37.88 77.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.163 0.506 . . . . 0.0 110.626 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -76.09 -41.66 49.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.717 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 m -64.0 -35.79 81.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.41 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -74.63 -17.34 60.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.328 0.585 . . . . 0.0 110.361 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -85.27 -19.32 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.634 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.724 -177.939 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 121.035 0.445 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 13' ' ' LEU . 51.8 mt -91.88 -27.16 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.264 0.554 . . . . 0.0 109.668 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.766 ' HA ' ' HA3' ' A' ' 34' ' ' GLY . 25.5 ttpp -56.59 -24.28 46.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.099 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.31 0.04 43.8 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.681 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -135.33 19.03 3.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.805 0.336 . . . . 0.0 110.279 -176.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.456 ' CE3' ' HA2' ' A' ' 34' ' ' GLY . 57.5 t-105 -49.15 -57.33 6.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.674 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -81.63 -6.4 58.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.204 0.526 . . . . 0.0 110.63 -174.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -98.45 -9.96 24.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.499 HD12 HG23 ' A' ' 6' ' ' ILE . 70.8 mt -109.13 -1.23 18.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.212 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.4 p -52.56 -45.12 66.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.411 -177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.23 -46.25 94.34 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.632 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -67.69 -37.97 83.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.92 0.39 . . . . 0.0 110.565 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 13' ' ' LEU . 79.5 mt -64.76 -44.97 96.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.427 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 86.3 tttt -57.97 -44.35 87.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.957 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -67.64 -28.43 67.72 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 20' ' ' ARG . 14.8 ttm180 -72.37 -53.61 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.553 -177.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -97.84 -17.17 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.042 -174.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.1 -54.03 4.45 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.012 -0.613 . . . . 0.0 114.442 170.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.71 -17.8 59.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.821 0.343 . . . . 0.0 111.532 -173.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.549 HD13 HD21 ' A' ' 29' ' ' LEU . 96.1 mt -69.53 121.21 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.947 177.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -88.11 169.54 11.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 0.0 111.077 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 6.5 m-20 -67.11 -29.04 68.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.35 -33.57 23.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.888 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.75 -27.84 66.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.449 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD21 HD13 ' A' ' 24' ' ' LEU . 98.0 mt -92.13 23.4 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.342 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 31.0 mm-40 -111.99 152.29 28.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 176.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 66.91 96.19 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.925 0.766 . . . . 0.0 112.322 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.21 175.07 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.435 ' HB2' ' HD2' ' A' ' 35' ' ' HIS . 2.7 m-20 -73.37 -50.77 20.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 171.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.766 ' HA3' ' HA ' ' A' ' 7' ' ' LYS . . . 121.33 -24.76 7.21 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.673 -177.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -57.26 140.96 48.34 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.674 0.273 . . . . 0.0 111.588 -177.119 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.04 -38.3 4.79 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -176.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.59 -25.58 64.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.665 0.269 . . . . 0.0 111.276 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -74.59 -34.33 62.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.1 mp -65.78 -38.03 87.92 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.893 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.54 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 57.7 t -56.86 -46.52 83.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.097 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.83 -46.32 94.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.01 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -60.3 -43.38 96.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.598 0.237 . . . . 0.0 111.4 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 96.0 mt -64.83 -32.59 74.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.628 0.251 . . . . 0.0 111.188 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.541 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 7.2 mm-40 -73.28 -37.47 66.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.787 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -74.86 -35.19 62.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.591 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.452 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -75.82 -55.22 5.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.693 -179.427 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.41 -69.56 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.278 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.67 82.55 1.63 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.997 -175.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -114.22 -177.02 3.03 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -58.4 138.03 56.84 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 167.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 4.5 ttpt -59.43 -40.27 86.23 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.276 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.17 -48.39 81.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.086 0.47 . . . . 0.0 109.911 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -59.25 -42.38 90.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.881 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.93 85.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.643 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 26.2 mt-10 -59.08 -49.03 79.43 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.835 177.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 56' ' ' GLN . 16.5 mm-40 -60.05 -33.91 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.407 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -61.39 -40.52 94.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.656 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.435 HG13 HD22 ' A' ' 39' ' ' LEU . 25.0 t -77.39 -35.42 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.742 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 36.3 mmt180 -61.91 -43.71 98.29 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.485 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.63 -45.76 85.02 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.185 0.517 . . . . 0.0 110.685 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -62.18 -50.51 71.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.705 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m -66.0 -28.13 68.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.226 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.88 -31.92 71.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.23 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 69.3 ttt180 -94.99 22.3 6.72 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.37 0.605 . . . . 0.0 110.591 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.709 -0.662 . . . . 0.0 109.854 176.613 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.222 0.535 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 13' ' ' LEU . 31.4 mt -87.73 -20.54 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.826 -176.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -60.91 -21.94 63.85 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.407 -172.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.02 -54.14 1.67 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.895 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 4.1 mptp? -95.65 24.79 5.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -172.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.601 ' CE3' ' HA3' ' A' ' 34' ' ' GLY . 51.4 t-105 -53.21 -41.63 65.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.069 177.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -60.68 -24.57 65.71 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.588 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.864 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -98.58 -25.64 14.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.99 0.424 . . . . 0.0 111.013 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 6' ' ' ILE . 91.1 mt -84.99 6.3 25.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.482 -176.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.7 p -56.29 -47.92 77.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.042 0.449 . . . . 0.0 111.123 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.71 -35.27 89.52 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.004 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -64.34 -48.43 75.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.59 0.233 . . . . 0.0 111.058 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.483 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 88.0 mt -60.74 -41.59 88.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -64.64 -41.02 96.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.046 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.54 -24.39 60.12 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.833 0.349 . . . . 0.0 111.379 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.522 ' NH2' ' HA ' ' A' ' 61' ' ' PHE . 11.0 mmt180 -69.46 -63.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.044 0.449 . . . . 0.0 110.783 175.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.483 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 16.4 m-90 -93.13 -66.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.486 -175.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.14 -46.06 1.17 Allowed Glycine 0 C--N 1.313 -0.718 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.909 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.08 -25.76 63.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.88 0.371 . . . . 0.0 111.475 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.21 104.96 9.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.382 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.533 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 70.4 p -72.56 159.66 33.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.941 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.19 -8.92 57.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.942 0.401 . . . . 0.0 110.346 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -80.51 -32.13 37.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.894 171.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.95 -26.59 63.24 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.329 0.585 . . . . 0.0 109.448 172.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 25' ' ' THR . 58.7 mt -95.23 18.49 12.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.723 -176.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -118.51 92.89 3.93 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.07 -151.37 0.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.862 -172.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 -155.63 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.969 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -62.66 121.69 13.99 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 111.09 -175.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.601 ' HA3' ' CE3' ' A' ' 10' ' ' TRP . . . -81.36 67.96 3.54 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.968 -178.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.633 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 5.9 p80 -92.0 166.57 12.62 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.68 79.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -172.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.633 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 74.4 mm-40 -60.25 -25.35 65.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.645 0.259 . . . . 0.0 111.435 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -76.16 -38.61 56.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.1 -42.51 99.29 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.363 175.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 60.6 t -55.01 -39.74 50.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.282 177.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.81 -49.86 65.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.435 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 57.4 mmtt -66.92 -34.78 78.52 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.724 -0.28 . . . . 0.0 111.61 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 47' ' ' TYR . 84.8 mt -71.83 -30.19 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.906 0.384 . . . . 0.0 110.462 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 1.2 mm-40 -75.3 -29.79 60.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.35 0.595 . . . . 0.0 110.121 174.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -78.0 -54.32 6.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.501 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -81.8 -30.48 32.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.748 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 80.8 m-85 -111.41 -54.85 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 111.467 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.55 37.85 4.13 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.897 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -82.87 163.53 21.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.814 0.34 . . . . 0.0 111.253 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.7 m -65.87 156.82 32.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.606 173.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -60.7 -46.12 91.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.879 0.371 . . . . 0.0 110.051 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -65.45 -39.02 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.931 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -57.31 -49.73 75.17 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.529 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.33 -40.94 98.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.779 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.88 -46.53 71.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.514 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.75 -30.78 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.437 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -71.91 -41.41 67.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.865 0.364 . . . . 0.0 110.315 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 54' ' ' ALA . 91.2 t -63.93 -39.04 84.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.026 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -61.9 -51.14 69.37 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.328 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.87 -37.07 75.69 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.031 0.443 . . . . 0.0 110.815 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.522 ' HA ' ' NH2' ' A' ' 20' ' ' ARG . 46.5 t80 -63.11 -48.62 77.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.413 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 p -87.1 -17.05 33.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.825 0.345 . . . . 0.0 111.833 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.01 -40.16 28.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.078 0.466 . . . . 0.0 109.898 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.466 ' HB3' HH22 ' A' ' 20' ' ' ARG . 33.1 ttt180 -96.74 67.1 2.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.916 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.44 -0.79 . . . . 0.0 109.477 174.196 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 121.385 0.612 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -92.02 3.6 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.634 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.652 ' HA ' ' O ' ' A' ' 34' ' ' GLY . 82.7 tttt -72.03 -26.73 62.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.758 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.99 157.84 15.11 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp 65.34 28.09 11.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.697 0.284 . . . . 0.0 110.745 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.544 ' O ' HG23 ' A' ' 14' ' ' THR . 50.4 t-105 -50.42 -41.52 52.54 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.758 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -71.11 -29.88 65.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.523 0.202 . . . . 0.0 111.365 -176.566 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -80.74 -39.33 27.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.01 0.434 . . . . 0.0 110.85 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.469 ' O ' HG13 ' A' ' 17' ' ' ILE . 98.9 mt -71.61 -15.06 62.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.606 -175.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 10' ' ' TRP . 44.2 p -49.2 -49.63 41.87 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 123.452 0.47 . . . . 0.0 111.341 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.582 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -55.74 -43.97 86.71 Favored Glycine 0 C--O 1.226 -0.39 0 CA-C-N 115.819 -0.628 . . . . 0.0 113.029 -178.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.68 -31.65 59.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.572 0.225 . . . . 0.0 111.439 -175.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 13' ' ' LEU . 62.1 mt -66.33 -41.85 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 173.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -65.54 -32.3 73.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.475 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 44.0 mt-10 -70.37 -43.11 70.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.711 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.68 ' NH1' ' HA ' ' A' ' 61' ' ' PHE . 12.3 ttm180 -71.15 -57.77 4.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.042 -171.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -87.79 -44.68 10.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 111.248 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.29 -37.9 3.28 Favored Glycine 0 C--N 1.317 -0.527 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.721 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.79 -38.38 79.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.283 0.541 . . . . 0.0 111.19 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.505 HD23 ' HG3' ' A' ' 46' ' ' ARG . 90.1 mt -57.97 119.05 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.5 p -87.84 -178.23 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.29 -30.57 71.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.998 0.427 . . . . 0.0 110.072 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.74 -36.27 83.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.1 178.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.554 ' HA ' ' HE2' ' A' ' 42' ' ' LYS . 17.5 m-20 -77.31 -27.28 52.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 -177.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.8 mt -96.71 16.13 19.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.098 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -128.69 163.32 25.37 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.89 67.68 0.6 Allowed 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.626 0.579 . . . . 0.0 111.446 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.27 160.14 42.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.544 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -27.46 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.214 175.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.652 ' O ' ' HA ' ' A' ' 7' ' ' LYS . . . 85.97 92.14 0.87 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.09 -173.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.32 156.78 0.77 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.27 76.77 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.499 0.499 . . . . 0.0 111.378 -173.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -56.06 -32.91 64.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.281 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -71.35 -40.36 70.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.374 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.0 mp -63.87 -39.51 94.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.89 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 54' ' ' ALA . 85.9 t -54.96 -49.86 67.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.384 176.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.76 -44.2 98.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.307 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 26.6 mmtm -66.58 -34.37 77.74 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 122.798 -0.236 . . . . 0.0 111.588 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 85.5 mt -70.33 -37.03 74.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.618 0.247 . . . . 0.0 110.854 178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 23.1 mt-30 -72.15 -30.5 65.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -73.63 -54.77 7.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HG3' HD23 ' A' ' 24' ' ' LEU . 24.1 mmt180 -71.39 -59.91 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.905 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -81.86 -52.69 6.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.02 0.438 . . . . 0.0 111.165 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.33 46.59 2.34 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.479 -175.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -89.56 177.63 6.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.93 0.395 . . . . 0.0 110.377 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.2 t -90.51 156.84 17.89 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -57.41 -48.15 79.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -171.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -76.23 -25.17 54.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.87 -172.302 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -67.6 -47.77 68.75 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 173.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -59.64 -44.93 93.34 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.267 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.15 -43.47 78.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -61.48 -44.83 96.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.63 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.17 -34.66 71.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.545 0.212 . . . . 0.0 111.27 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 54' ' ' ALA . 98.9 t -69.97 -37.07 71.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.234 0.54 . . . . 0.0 110.026 175.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -63.09 -39.84 95.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.762 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.49 -39.47 93.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.391 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.68 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 93.2 t80 -59.2 -39.73 83.54 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.943 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -69.16 -35.14 76.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.971 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -64.52 -52.1 59.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 110.248 176.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.609 ' HB2' HH12 ' A' ' 20' ' ' ARG . 50.9 mtt180 -85.29 61.47 6.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.001 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 32.1 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.655 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.704 0.288 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.1 mt -75.53 -36.38 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.343 0.592 . . . . 0.0 110.069 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.712 ' HA ' ' HA3' ' A' ' 34' ' ' GLY . 85.4 tttt -61.58 -28.19 69.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.838 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.84 -39.77 5.43 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.835 -178.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -105.27 28.32 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.806 0.303 . . . . 0.0 111.264 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -51.64 -50.25 60.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -175.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 36.9 ttmt -76.46 -12.56 60.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.102 0.477 . . . . 0.0 110.973 -175.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -92.6 -39.26 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.213 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 17' ' ' ILE . 94.7 mt -77.9 -2.76 38.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.086 -174.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -51.44 -42.21 61.37 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.39 -44.01 85.82 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.251 -0.5 . . . . 0.0 112.911 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -68.56 -34.81 76.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.822 -0.222 . . . . 0.0 111.443 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.498 HG23 ' CE3' ' A' ' 21' ' ' TRP . 72.1 mt -64.31 -43.99 97.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.216 0.532 . . . . 0.0 109.9 176.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 52.8 tptt -59.87 -30.39 68.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.006 175.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -79.01 -49.37 12.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.268 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.629 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.4 mmp_? -61.59 -58.81 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -175.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.498 ' CE3' HG23 ' A' ' 17' ' ' ILE . 6.9 m0 -100.54 -23.94 14.58 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.942 -173.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' A' ' 18' ' ' LYS . . . 83.45 -67.35 3.75 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.812 -0.708 . . . . 0.0 114.795 167.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.57 -20.67 64.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -169.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -58.96 129.1 40.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.933 0.397 . . . . 0.0 110.826 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 11.2 t -94.98 174.95 6.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.681 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -70.75 -14.16 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.756 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' H ' HG23 ' A' ' 25' ' ' THR . 13.6 m-20 -71.39 -45.45 62.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.477 ' OD2' HG22 ' A' ' 25' ' ' THR . 34.5 m-20 -65.8 -34.25 77.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.696 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 25' ' ' THR . 41.3 mt -91.43 7.73 39.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.943 -174.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -152.15 72.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.977 0.418 . . . . 0.0 110.116 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 177.27 47.53 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.683 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -150.25 168.37 24.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -171.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.584 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -104.38 17.53 23.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.988 172.516 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.712 ' HA3' ' HA ' ' A' ' 7' ' ' LYS . . . 75.0 -144.67 32.56 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.483 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.691 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 19.8 p80 53.45 156.05 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.37 1.468 . . . . 0.0 113.897 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -58.67 -41.07 85.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.374 -172.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.691 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 10.7 mp0 -52.4 -36.45 54.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.656 -176.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 49.8 t80 -73.68 -42.82 60.79 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.241 -178.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.56 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 60.6 mt -60.03 -43.92 94.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.623 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 36' ' ' ALA . 67.2 t -51.65 -47.23 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.453 0.471 . . . . 0.0 110.376 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.21 -47.59 90.22 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.271 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 57.8 mmtt -64.83 -37.29 87.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 59.3 mt -70.27 -28.08 64.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 14.4 mm100 -83.09 -36.57 24.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.111 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.31 -53.87 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.861 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -78.68 -52.04 8.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.372 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -98.21 -69.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.974 0.416 . . . . 0.0 111.284 -173.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.6 64.5 0.7 Allowed Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.953 -176.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.509 ' HB3' ' HD2' ' A' ' 53' ' ' ARG . 12.6 m0 -95.5 -168.61 1.81 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.5 t -73.33 144.2 46.62 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 165.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -58.88 -36.99 75.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.88 0.371 . . . . 0.0 110.235 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.35 -40.78 97.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.115 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.509 ' HD2' ' HB3' ' A' ' 49' ' ' TRP . 27.9 ttm180 -65.58 -43.57 89.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.427 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.84 -48.32 82.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.48 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.9 -45.14 95.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.984 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.439 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 13.3 mm-40 -61.84 -33.41 74.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.606 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 33.0 mm-40 -65.59 -40.31 92.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.881 0.372 . . . . 0.0 110.374 175.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.473 HG13 HD12 ' A' ' 39' ' ' LEU . 48.2 t -65.08 -42.2 93.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.237 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -65.1 -41.3 95.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.734 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.97 -45.43 92.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.345 175.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.59 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 51.8 t80 -62.34 -49.66 74.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.809 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 m -62.87 -40.13 96.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.62 -178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.49 -27.64 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.506 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -88.37 10.85 18.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.11 0.481 . . . . 0.0 110.58 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 98.7 mt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.436 -0.793 . . . . 0.0 109.84 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.004 0.431 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.1 mm -75.75 -45.5 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.407 -175.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.93 -24.99 67.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.965 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.74 -40.63 95.19 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.784 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -131.46 35.75 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.807 -0.231 . . . . 0.0 110.451 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.666 ' CZ2' ' HB3' ' A' ' 32' ' ' ALA . 68.1 t-105 -48.9 -42.37 36.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -175.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -70.98 -29.27 65.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.869 0.366 . . . . 0.0 110.705 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -90.65 -37.12 13.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.151 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.48 -8.44 26.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.443 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 29' ' ' LEU . 27.5 p -48.2 -45.35 33.8 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.433 0.458 . . . . 0.0 111.407 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.523 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -70.5 -30.66 68.71 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.974 -178.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -81.79 -39.41 24.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.155 0.478 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.407 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 80.8 mt -65.72 -44.14 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.093 0.473 . . . . 0.0 110.311 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -69.05 -28.41 66.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.545 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.523 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 3.8 tp10 -72.21 -36.63 69.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.111 0.481 . . . . 0.0 110.111 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -62.31 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.601 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.407 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 24.1 m-90 -88.95 -52.11 5.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.963 0.411 . . . . 0.0 111.996 -174.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.86 -47.42 1.07 Allowed Glycine 0 C--N 1.313 -0.721 0 C-N-CA 120.875 -0.679 . . . . 0.0 113.165 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.44 -11.51 60.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 111.641 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.414 HD23 ' HG3' ' A' ' 46' ' ' ARG . 95.3 mt -83.61 98.08 9.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 174.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 t -76.9 160.35 29.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.666 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -60.91 -26.59 67.57 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.702 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.02 -48.09 82.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.023 0.44 . . . . 0.0 110.763 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.26 -41.42 81.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.799 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 14' ' ' THR . 63.8 mt -77.76 -16.61 58.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.813 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.95 -22.49 20.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.054 0.454 . . . . 0.0 110.578 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.32 -38.93 11.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -173.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.666 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . . . -68.4 170.9 8.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -170.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.88 -69.12 0.31 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.977 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.636 ' HA2' ' CD2' ' A' ' 10' ' ' TRP . . . 146.09 -38.52 1.18 Allowed Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.248 -0.977 . . . . 0.0 113.446 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 4.6 p80 -57.93 142.69 45.43 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 117.176 0.488 . . . . 0.0 111.105 -175.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -48.75 -42.18 34.55 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 3.5 mp0 -56.7 -29.83 62.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.627 0.251 . . . . 0.0 111.616 -176.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -82.43 -32.52 28.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.022 0.439 . . . . 0.0 109.845 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.8 tp -66.96 -37.43 84.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.711 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' HB3' ' A' ' 54' ' ' ALA . 79.5 t -55.72 -44.78 78.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.241 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.526 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -62.35 -36.93 93.78 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.326 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -64.26 -41.73 96.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.639 0.257 . . . . 0.0 110.977 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.38 -39.9 95.78 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.911 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.27 -29.01 68.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.968 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 13.0 mm-40 -78.85 -35.57 43.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.679 0.276 . . . . 0.0 111.033 177.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HG3' HD23 ' A' ' 24' ' ' LEU . 13.3 mmp_? -72.84 -57.76 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.398 . . . . 0.0 111.716 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -104.1 -18.7 14.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.06 -171.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.76 40.07 23.02 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.056 -1.068 . . . . 0.0 111.768 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.525 ' CZ3' ' HG2' ' A' ' 57' ' ' GLU . 50.9 m0 -83.01 158.74 22.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.853 0.358 . . . . 0.0 110.424 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.1 t -73.16 156.11 38.95 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -63.11 -39.48 94.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.492 0.187 . . . . 0.0 111.236 -175.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.73 -42.09 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.956 0.408 . . . . 0.0 110.725 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 34.4 ttm180 -67.41 -45.39 76.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.409 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -63.92 -37.86 88.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -58.52 -58.15 9.83 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.694 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.68 -31.7 71.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.617 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.525 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 3.8 tp10 -68.39 -41.04 81.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.781 0.324 . . . . 0.0 110.566 -178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 54' ' ' ALA . 93.9 t -64.3 -38.84 83.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.158 175.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 17.9 mtp180 -65.98 -40.07 90.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.688 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.7 t70 -54.22 -42.07 69.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 110.232 176.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -69.21 -46.29 67.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.283 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.8 m -70.3 -27.7 64.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.047 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.45 1.02 50.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 111.01 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 50.7 mtt-85 -110.95 11.34 22.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.298 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.346 179.466 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 CA--C 1.531 0.213 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -69.62 -27.11 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.743 -175.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -58.78 -46.54 87.28 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.46 7.5 63.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.159 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 89.7 mttt -130.17 16.24 5.61 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.64 -0.329 . . . . 0.0 110.999 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.463 ' HE1' ' HA ' ' A' ' 31' ' ' ALA . 61.0 t-105 -44.38 -61.1 1.64 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -173.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.722 ' HD2' ' HG2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -73.69 -4.35 33.86 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -173.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.834 HE21 ' HA ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -98.4 -13.16 20.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.975 0.417 . . . . 0.0 109.886 176.464 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 87.7 mt -106.2 -17.13 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.997 -173.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.1 p -49.63 -39.76 36.95 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.12 -41.41 98.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.849 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -84.77 -27.41 26.9 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 13' ' ' LEU . 63.4 mt -60.45 -46.84 94.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.765 174.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HB2' HD11 ' A' ' 29' ' ' LEU . 84.2 tttt -66.31 -31.28 71.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -80.4 -24.37 39.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.855 0.36 . . . . 0.0 110.532 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -69.41 -57.71 4.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.062 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.4 ' HZ3' HG23 ' A' ' 17' ' ' ILE . 6.4 m-90 -95.9 -18.07 20.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.755 -175.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.4 -70.45 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.408 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 33.2 t70 -85.23 64.98 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.743 0.782 . . . . 0.0 110.577 -173.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.3 mt -121.72 118.37 28.93 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.364 174.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.0 m -74.69 153.78 38.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.469 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -58.41 -30.08 66.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.705 0.288 . . . . 0.0 110.697 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.97 -41.45 82.96 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.099 0.476 . . . . 0.0 110.997 172.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.723 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 65.6 m-20 -73.72 -19.46 60.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.901 -178.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 18' ' ' LYS . 43.2 mt -102.77 2.68 35.94 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.478 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -62.9 112.13 2.44 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.157 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . . . -72.46 99.66 2.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.408 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.64 -77.7 0.59 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.179 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.44 111.68 24.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.362 0.601 . . . . 0.0 109.573 172.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.16 107.57 3.09 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.791 -0.64 . . . . 0.0 113.611 -172.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.414 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 1.4 p80 -166.64 159.54 14.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.39 73.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 0.0 111.761 -173.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 37' ' ' GLU . 1.9 mp0 -60.72 -30.61 70.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.674 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.414 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.3 t80 -68.0 -39.43 83.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 49.8 tp -61.28 -52.12 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.032 174.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.04 -48.52 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.974 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.11 -38.05 92.52 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.933 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.723 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 15.4 mttm -85.06 -18.47 34.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.459 -0.436 . . . . 0.0 111.809 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 83.9 mt -67.32 -30.51 70.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 170.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.476 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 22.5 mt-30 -81.88 -25.72 34.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.872 174.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 42' ' ' LYS . 5.5 tp10 -67.24 -58.89 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.492 176.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 24.4 tpt180 -75.16 -53.6 8.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.422 -175.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -91.75 -65.39 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.038 0.447 . . . . 0.0 110.92 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 105.72 47.65 1.09 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.549 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -83.13 170.41 14.8 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 152.28 41.98 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 62.8 tttm -52.1 -48.65 64.64 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.196 0.31 . . . . 0.0 111.614 -175.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 1.4 pm0 -69.47 -28.06 65.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.298 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -77.09 -35.91 56.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.35 -42.81 87.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.854 175.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.421 ' OE2' ' HG2' ' A' ' 51' ' ' LYS . 48.1 mt-10 -57.39 -41.47 80.33 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.621 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.68 -49.05 79.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.342 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -58.54 -45.09 89.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.295 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 54' ' ' ALA . 83.0 t -58.13 -46.86 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.092 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -67.12 -39.5 86.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.845 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -64.77 -45.56 85.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.741 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -65.16 -39.27 92.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.455 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.5 t -63.13 -20.17 65.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -83.29 -40.45 19.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.052 0.454 . . . . 0.0 110.161 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -74.7 -9.6 58.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.699 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--O 1.245 0.852 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.962 176.205 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mm -57.29 -45.68 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.688 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -71.32 -28.32 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.341 -174.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.51 46.22 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.365 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . 60.5 mmtt -101.87 16.61 25.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.502 ' CZ2' ' HB3' ' A' ' 32' ' ' ALA . 75.8 t-105 -48.85 -50.39 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -170.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.02 -17.78 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.956 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -98.54 -31.01 12.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.033 0.444 . . . . 0.0 110.26 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.494 ' HG ' ' HB2' ' A' ' 9' ' ' LYS . 64.9 mt -77.28 -16.33 59.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.735 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.559 HG22 ' HB3' ' A' ' 29' ' ' LEU . 3.9 p -55.75 -36.63 67.51 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.14 -27.35 68.55 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.568 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -86.26 -30.09 22.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 13' ' ' LEU . 85.3 mt -64.69 -42.56 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 173.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 57.6 tttm -70.1 -19.97 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.236 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -75.86 -42.86 48.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.833 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -45.28 52.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.854 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.441 ' CE3' HG23 ' A' ' 17' ' ' ILE . 5.1 m-90 -120.14 102.71 8.7 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.16 -5.24 89.75 Favored Glycine 0 N--CA 1.452 -0.246 0 N-CA-C 114.811 0.684 . . . . 0.0 114.811 -168.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -92.88 -11.08 34.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.894 0.847 . . . . 0.0 110.717 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 81.3 mt -82.04 117.65 22.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.968 176.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.0 p -84.03 166.38 17.79 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.208 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 p30 -67.19 -24.89 65.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.205 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.3 -33.89 70.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.665 0.269 . . . . 0.0 110.907 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -70.39 -30.34 67.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.109 0.48 . . . . 0.0 110.335 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.559 ' HB3' HG22 ' A' ' 14' ' ' THR . 66.0 mt -95.75 -48.7 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.608 -175.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.444 ' HG2' HG21 ' A' ' 14' ' ' THR . 93.7 mt-30 -78.84 59.64 2.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.05 0.452 . . . . 0.0 110.181 -177.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.72 22.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.606 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.502 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . . . -132.37 171.85 13.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -168.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.29 -56.04 17.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.495 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.27 -27.64 6.03 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.192 -1.004 . . . . 0.0 114.019 174.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 19.3 p-80 -68.19 158.65 32.77 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 117.868 0.834 . . . . 0.0 111.325 -174.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.56 -44.29 56.61 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -166.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.439 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 34.0 mm-40 -60.06 -26.89 66.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -74.42 -31.87 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.606 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.5 mp -62.12 -44.67 96.13 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 174.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.575 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 46.5 t -56.09 -44.25 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.275 177.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.84 -47.98 88.54 Favored Glycine 0 C--O 1.227 -0.333 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.053 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -60.64 -35.77 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 95.5 mt -68.84 -28.71 66.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.874 0.369 . . . . 0.0 110.646 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 8.1 mm-40 -79.6 -46.23 17.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.137 0.494 . . . . 0.0 110.044 175.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.29 -48.33 82.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.44 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -81.32 -46.36 14.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.238 -174.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.412 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 89.1 m-85 -102.88 -76.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.867 0.365 . . . . 0.0 110.998 -176.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.8 73.45 0.53 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.724 -175.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -114.91 -168.69 1.42 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -87.67 155.15 20.07 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 169.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HG3' HG11 ' A' ' 40' ' ' VAL . 55.9 tttm -67.02 -31.8 72.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -55.02 -53.94 49.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.0 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 53' ' ' ARG . 15.5 ttm-85 -67.25 -45.5 76.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.495 -177.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.25 -46.18 83.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.216 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 38.0 mt-10 -67.46 -37.73 83.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.618 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.767 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.3 -43.48 88.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.686 0.279 . . . . 0.0 110.527 174.663 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.69 84.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.754 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 54' ' ' ALA . 99.1 t -66.05 -41.11 89.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.443 175.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 31.9 mmt180 -58.37 -44.04 88.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.822 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.77 -42.24 88.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.224 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.54 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 52.6 t80 -64.62 -50.99 64.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.88 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.2 m -62.54 -31.27 72.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.959 0.409 . . . . 0.0 110.802 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.75 -43.43 93.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.005 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.51 17.72 3.09 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 76.3 mt . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.328 -0.844 . . . . 0.0 109.847 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.876 0.37 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.5 mt -90.36 -26.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.973 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -55.15 -31.57 61.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.356 174.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.55 138.75 14.58 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.406 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.626 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 98.5 mttt 65.09 20.63 12.08 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 122.788 0.435 . . . . 0.0 110.692 -175.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.487 ' CD2' ' HA3' ' A' ' 34' ' ' GLY . 67.4 t-105 -56.76 -41.65 77.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.656 -177.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -8.24 55.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 111.476 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -98.82 -35.88 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.109 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 79.9 mt -76.31 -9.12 58.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.654 -175.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.0 p -53.23 -38.35 62.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.468 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.17 -42.67 99.73 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.137 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -64.15 -42.92 96.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 0.0 110.626 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 13' ' ' LEU . 63.9 mt -65.52 -50.61 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.212 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -64.34 -24.91 67.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.023 0.44 . . . . 0.0 110.507 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.42 -36.62 71.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -82.74 -57.42 3.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.95 0.405 . . . . 0.0 110.465 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -107.46 99.34 8.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.16 -177.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.02 -14.65 71.07 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.416 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 27.2 t70 -83.27 -22.4 33.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.288 0.544 . . . . 0.0 110.387 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 46' ' ' ARG . 43.5 mt -76.42 107.76 8.91 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.147 0.499 . . . . 0.0 109.782 175.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.4 p -78.78 158.47 28.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.849 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -73.28 -12.64 60.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.88 -42.51 81.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.847 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -65.15 -39.76 93.45 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.004 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.1 mt -74.87 -43.05 56.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.047 -176.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -77.55 -4.78 47.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.24 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.58 -62.89 1.27 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -175.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.28 -84.32 0.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -135.17 148.35 49.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.051 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA3' ' CD2' ' A' ' 10' ' ' TRP . . . -120.18 145.01 17.54 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.684 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.551 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 8.0 p80 -175.32 166.84 3.38 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.21 -55.8 2.56 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.791 0.682 . . . . 0.0 112.8 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 20.4 mp0 -60.5 -31.32 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.779 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -75.42 -37.49 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.617 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 8.7 mp -59.26 -51.13 71.28 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.5 t -53.65 -45.64 60.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.675 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.16 -52.72 50.8 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.596 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -67.44 -30.08 69.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 74.1 mt -66.43 -37.17 84.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.56 0.219 . . . . 0.0 110.48 176.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -76.69 -29.96 56.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.69 -56.47 5.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.269 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -71.4 -57.43 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.343 -176.595 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 68.2 m-85 -90.24 -60.18 2.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.975 0.417 . . . . 0.0 111.043 -177.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.22 49.8 1.67 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.894 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.467 ' HB3' ' HD2' ' A' ' 53' ' ' ARG . 8.8 m0 -86.52 177.43 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -71.73 149.77 45.1 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 88.0 tttt -56.86 -43.7 81.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.557 0.218 . . . . 0.0 110.903 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.82 -47.27 83.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.53 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HD2' ' HB3' ' A' ' 49' ' ' TRP . 18.0 ttm180 -61.25 -41.48 96.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.185 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.13 -47.33 86.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.768 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 44.5 mt-10 -55.73 -45.44 77.97 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.799 177.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.631 HE21 ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.94 -46.42 88.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.619 178.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.8 -38.51 91.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.375 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 54' ' ' ALA . 75.0 t -62.29 -48.02 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 0.0 110.802 177.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -65.85 -40.08 91.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.522 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.65 -35.07 75.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.498 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.46 ' CE2' HD21 ' A' ' 65' ' ' LEU . 87.1 t80 -75.77 -43.21 47.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.755 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.533 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 23.2 t -60.0 -30.5 69.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.032 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -61.86 -31.66 71.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.079 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.1 mpt_? -99.45 18.28 18.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -176.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.537 HD22 HD22 ' A' ' 13' ' ' LEU . 82.1 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.438 -0.792 . . . . 0.0 109.439 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.673 HG23 HG13 ' A' ' 6' ' ' ILE . 15.5 m . . . . . 0 C--O 1.232 0.149 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.673 HG13 HG23 ' A' ' 5' ' ' VAL . 14.6 mt -89.85 -33.47 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.978 0.418 . . . . 0.0 110.86 -175.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -79.54 -41.59 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.287 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.29 -29.03 60.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.223 -175.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -120.47 31.93 6.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.318 0.58 . . . . 0.0 110.561 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -50.78 -48.53 59.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.03 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -68.3 -25.54 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.917 0.389 . . . . 0.0 111.068 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -83.16 -29.13 28.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.047 0.451 . . . . 0.0 110.532 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 17' ' ' ILE . 87.8 mt -84.42 -5.95 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.798 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 29' ' ' LEU . 18.0 p -47.02 -54.85 9.3 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -176.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.43 -42.8 99.85 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.252 -0.499 . . . . 0.0 112.92 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -66.7 -39.42 88.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.784 0.326 . . . . 0.0 111.224 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.466 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 84.9 mt -65.58 -46.58 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.813 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 48.0 tttm -69.78 -19.55 63.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.079 0.466 . . . . 0.0 110.606 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -78.07 -25.93 47.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.271 0.558 . . . . 0.0 109.979 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 20' ' ' ARG . 22.0 ttt180 -85.2 -52.51 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.466 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 3.1 m-90 -112.24 94.53 4.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.363 178.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.05 -24.65 75.81 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.555 -0.748 . . . . 0.0 113.773 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.504 ' OD2' ' HG3' ' A' ' 46' ' ' ARG . 38.3 t70 -72.43 -27.67 62.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.972 0.386 . . . . 0.0 111.182 -175.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.676 HD13 HD21 ' A' ' 29' ' ' LEU . 95.3 mt -64.54 120.2 11.9 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 175.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 p -79.41 169.0 18.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.168 0.509 . . . . 0.0 111.726 -174.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -69.41 -11.52 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.043 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -85.85 -50.23 7.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.926 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -57.42 -42.71 82.88 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.667 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.676 HD21 HD13 ' A' ' 24' ' ' LEU . 86.8 mt -85.67 14.05 6.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.756 -175.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -141.23 18.03 2.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.242 0.544 . . . . 0.0 110.279 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.9 -85.51 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.777 -176.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.14 -95.96 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -145.19 -171.55 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.79 37.06 2.69 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.271 -0.966 . . . . 0.0 114.096 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 19.7 p-80 -77.54 147.15 35.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -40.64 26.33 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -168.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.568 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 57.9 mm-40 -57.78 -34.27 69.41 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -71.76 -41.74 68.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.413 -177.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 44.2 mt -59.16 -53.35 59.3 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.265 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 54' ' ' ALA . 90.3 t -52.81 -45.85 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.572 0.545 . . . . 0.0 110.828 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.45 -48.74 83.25 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.414 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -67.53 -30.87 70.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.576 0.226 . . . . 0.0 111.594 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 77.9 mt -70.86 -39.33 72.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.695 0.283 . . . . 0.0 110.734 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 24.7 mt-30 -72.76 -26.37 61.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.02 0.438 . . . . 0.0 110.193 175.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.98 -55.91 4.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.981 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -72.32 -57.45 4.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.204 -174.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -84.22 -52.03 6.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.916 0.389 . . . . 0.0 110.951 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 103.07 38.7 2.82 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.887 -178.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 53' ' ' ARG . 46.1 m0 -83.3 169.85 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.728 0.299 . . . . 0.0 110.316 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.8 p -81.75 165.59 20.8 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -59.99 -43.31 95.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.261 -176.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.582 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 1.3 mp0 -64.6 -42.52 95.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.601 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' TRP . 56.7 ttm-85 -65.2 -39.66 93.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.41 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.471 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -64.48 -44.62 90.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.189 177.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -54.84 -45.04 74.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.014 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -58.97 -51.55 69.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.783 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -62.17 -47.63 83.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.26 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.49 -44.34 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.144 0.497 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttm105 -68.82 -39.62 79.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.189 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 34.2 t70 -70.67 -28.49 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.804 178.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -73.03 -43.77 61.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.361 . . . . 0.0 110.065 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 t -64.65 -20.89 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.532 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' ASP . 11.6 t70 -64.24 -28.7 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.466 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -102.38 9.32 39.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.118 0.485 . . . . 0.0 111.134 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.166 -178.12 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.873 0.368 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -113.75 108.01 16.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -151.3 126.97 10.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.934 ' HB3' ' HE3' ' A' ' 7' ' ' LYS . 17.2 t0 -83.52 90.4 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.4 m -85.51 -5.34 9.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.392 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -74.22 -43.5 50.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.187 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.934 ' HE3' ' HB3' ' A' ' 4' ' ' ASP . 21.5 pttp -63.88 -26.56 68.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.59 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.3 -51.76 9.54 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.363 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 73.5 mmtt -100.52 29.19 4.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.527 0.203 . . . . 0.0 110.621 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.626 ' CE2' ' HA2' ' A' ' 34' ' ' GLY . 62.3 t-105 -55.59 -56.31 21.84 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -170.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -70.51 -6.93 39.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.198 0.523 . . . . 0.0 111.019 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.51 -39.2 9.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.637 175.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 93.7 mt -76.78 -16.86 59.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.663 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 10' ' ' TRP . 8.3 p -47.63 -50.23 25.03 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.363 0.415 . . . . 0.0 111.789 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.76 -36.68 93.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.548 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -73.88 -30.1 62.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.921 0.391 . . . . 0.0 110.641 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 13' ' ' LEU . 79.4 mt -72.03 -41.74 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.288 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.775 ' HD2' ' HB2' ' A' ' 26' ' ' ASP . 85.8 tttt -63.12 -31.93 73.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.368 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.45 -43.07 61.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.118 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -65.17 -47.27 77.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.355 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -120.76 100.73 7.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.981 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.68 -25.85 71.81 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.981 -0.554 . . . . 0.0 113.442 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.522 ' OD2' ' HB3' ' A' ' 46' ' ' ARG . 33.8 t70 -72.39 -20.34 61.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 111.343 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 mt -78.1 126.93 31.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.247 0.546 . . . . 0.0 110.82 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.433 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 5.7 m -79.81 127.37 32.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.679 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.775 ' HB2' ' HD2' ' A' ' 18' ' ' LYS . 19.1 t70 -56.7 -43.7 80.78 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.963 0.411 . . . . 0.0 110.924 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.95 -36.35 72.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.148 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.78 -36.76 67.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 25' ' ' THR . 72.5 mt -68.96 -47.55 65.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.957 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -75.51 46.47 0.35 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.27 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.83 -91.21 0.32 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.96 -79.64 0.33 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.478 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 4.6 m-20 -51.78 -48.61 63.71 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -168.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.626 ' HA2' ' CE2' ' A' ' 10' ' ' TRP . . . 77.85 -59.58 3.83 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.814 -0.708 . . . . 0.0 114.547 172.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.468 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 24.1 p-80 -50.58 165.11 0.11 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -174.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.58 ' HA ' HD13 ' A' ' 39' ' ' LEU . . . -44.98 -43.03 8.76 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -170.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 11.5 mm-40 -61.5 -20.25 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CD1' ' HB2' ' A' ' 33' ' ' ASP . 43.7 t80 -81.34 -32.93 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.58 HD13 ' HA ' ' A' ' 36' ' ' ALA . 7.4 mp -61.33 -47.31 86.48 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.556 HG11 ' HG3' ' A' ' 51' ' ' LYS . 90.1 t -55.66 -44.97 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.365 177.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.15 -44.83 96.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.59 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -72.75 -32.73 65.87 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.743 -0.269 . . . . 0.0 111.458 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 92.9 mt -65.48 -34.2 77.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 110.099 175.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 14.5 mm100 -74.2 -40.12 62.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.266 175.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.77 -49.16 69.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.793 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.522 ' HB3' ' OD2' ' A' ' 23' ' ' ASP . 18.2 mmm180 -77.62 -65.08 1.01 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.437 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -80.4 -74.01 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.944 0.402 . . . . 0.0 110.763 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.14 66.18 0.65 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.591 -175.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -103.17 -168.6 1.53 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.6 p -86.31 148.65 25.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 164.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.556 ' HG3' HG11 ' A' ' 40' ' ' VAL . 82.3 tttt -59.0 -36.67 75.32 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.854 -177.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.0 -40.64 96.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.001 0.429 . . . . 0.0 110.842 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 71.1 ttt180 -67.43 -40.09 85.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.908 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.44 -46.69 87.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.365 176.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 47.7 mt-10 -52.82 -46.12 67.58 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -60.18 -44.73 94.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.128 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 10.4 mm-40 -72.4 -35.07 68.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 54' ' ' ALA . 73.6 t -64.29 -44.0 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 110.719 176.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 59' ' ' ARG . 69.5 mtm-85 -71.65 -23.59 61.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.763 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 57' ' ' GLU . 9.8 t70 -63.39 -45.89 88.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.891 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 90.0 t80 -65.25 -36.15 83.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.161 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.6 m -64.98 -31.07 72.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.595 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.81 -28.4 65.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.363 0.602 . . . . 0.0 110.051 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -79.54 -8.36 59.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.77 -179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 81.6 mt . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.59 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -84.49 149.16 26.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.143 0.497 . . . . 0.0 111.478 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p -162.61 103.73 1.06 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.673 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -86.14 153.97 21.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.502 -175.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 m -109.75 -19.14 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.533 -178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.08 -43.04 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.152 0.501 . . . . 0.0 109.987 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -53.34 -33.79 54.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.491 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.95 -45.7 4.73 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.773 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HD2' ' OE1' ' A' ' 12' ' ' GLN . 33.9 mmtp -93.0 30.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.514 -0.403 . . . . 0.0 110.703 -176.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -51.2 -59.79 3.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.645 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -67.33 -24.89 65.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.262 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.436 ' OE1' ' HD2' ' A' ' 9' ' ' LYS . 51.9 mt-30 -75.43 -37.96 60.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.146 0.498 . . . . 0.0 110.03 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.26 3.28 36.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.072 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.2 p -54.37 -51.94 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.069 0.461 . . . . 0.0 111.332 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.98 -25.73 75.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.454 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 48.5 tptt -77.15 -40.08 46.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.034 0.445 . . . . 0.0 110.116 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.5 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 87.7 mt -64.49 -37.46 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.773 174.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 29.3 ttpp -67.2 -22.12 65.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.579 176.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -86.12 -41.96 14.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.95 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 20' ' ' ARG . 15.1 tpt180 -61.63 -51.39 68.69 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.31 -176.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.5 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 12.0 m-90 -92.85 -42.85 9.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.865 0.364 . . . . 0.0 111.161 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 18' ' ' LYS . . . 100.42 -50.78 1.05 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.123 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.83 -8.71 59.56 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -173.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 24' ' ' LEU . 48.0 mt -78.93 108.52 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.025 0.44 . . . . 0.0 110.607 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 1.2 p -68.44 124.94 24.93 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.768 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 9.1 p-10 -64.72 -23.79 67.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.822 -177.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.89 -38.61 82.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.381 0.61 . . . . 0.0 109.704 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.533 ' O ' ' HE2' ' A' ' 42' ' ' LYS . 6.5 m-20 -86.55 -11.84 50.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.569 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 25' ' ' THR . 97.0 mt -89.15 -28.74 19.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.698 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 26' ' ' ASP . 55.6 mt-30 -67.35 97.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.5 -164.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.692 -172.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.13 -76.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.215 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -92.32 154.43 18.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.844 0.354 . . . . 0.0 111.797 -176.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -113.04 8.58 25.22 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.914 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.14 146.69 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.579 0.228 . . . . 0.0 111.071 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 39' ' ' LEU . . . -53.09 -32.05 45.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.337 -174.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.49 -23.12 64.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -77.1 -38.35 52.45 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.972 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 36' ' ' ALA . 7.0 mp -58.99 -43.44 91.43 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.618 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 92.6 t -54.42 -46.26 70.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.533 176.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.73 -45.3 95.02 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.711 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.533 ' HE2' ' O ' ' A' ' 28' ' ' ASP . 40.1 mmtm -73.99 -30.41 62.47 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.683 -0.304 . . . . 0.0 111.464 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 86.4 mt -64.73 -35.99 82.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.228 174.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 13.1 mm100 -71.58 -35.22 70.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.123 0.487 . . . . 0.0 109.909 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.96 -39.42 87.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.877 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -87.57 -59.97 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -91.66 -71.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.958 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.34 75.44 1.07 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -173.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -106.12 -168.83 1.49 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.973 0.416 . . . . 0.0 110.234 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -80.63 150.0 29.63 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 170.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.548 ' HD2' HG11 ' A' ' 40' ' ' VAL . 29.2 tptp -50.87 -50.82 56.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 0.0 110.9 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 31.0 tt0 -69.47 -35.5 75.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.15 99.24 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.82 -41.8 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.331 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -60.27 -45.01 94.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.904 177.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 27.8 mt-30 -58.24 -37.7 75.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.988 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.03 -35.7 69.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.516 HG13 HD22 ' A' ' 39' ' ' LEU . 58.0 t -68.2 -36.6 75.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.519 0.676 . . . . 0.0 109.593 174.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 59' ' ' ARG . 21.2 ttt85 -64.62 -37.81 88.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.761 176.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.49 ' CG ' HH22 ' A' ' 64' ' ' ARG . 13.1 t70 -58.55 -46.72 86.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.305 175.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.77 -30.53 70.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.075 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.2 m -73.84 -25.63 60.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.253 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -72.14 -32.85 67.29 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.13 0.491 . . . . 0.0 110.96 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.49 HH22 ' CG ' ' A' ' 60' ' ' ASP . 7.1 mtm180 -125.19 36.79 4.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.272 -177.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.296 -0.859 . . . . 0.0 108.777 176.819 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.507 0.194 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -87.55 69.03 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.731 0.777 . . . . 0.0 109.33 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -118.69 41.49 2.99 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.39 132.56 47.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.723 -171.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.66 2.03 8.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.868 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.6 mm -91.9 -37.07 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 110.455 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.522 ' HG2' ' HB3' ' A' ' 35' ' ' HIS . 37.5 mtmm -72.95 -16.36 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.24 131.3 10.58 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.64 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 67.02 28.82 8.31 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.401 ' HZ3' HD11 ' A' ' 39' ' ' LEU . 42.6 t-105 -47.99 -48.72 32.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.263 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -74.14 -4.65 37.06 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.733 -0.387 . . . . 0.0 112.016 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -98.5 -17.31 18.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.542 0.686 . . . . 0.0 109.66 174.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.48 -4.75 57.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.211 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -56.65 -53.99 51.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.381 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.24 -27.07 71.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.183 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 61' ' ' PHE . 45.1 tptt -73.12 -39.97 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.985 0.422 . . . . 0.0 110.583 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.433 HG23 ' CE3' ' A' ' 21' ' ' TRP . 79.0 mt -70.81 -44.15 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.147 0.499 . . . . 0.0 110.333 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.89 -35.52 76.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.235 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.05 -34.95 72.52 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.003 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -84.69 -68.35 0.73 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.763 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.472 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 4.4 m-90 -82.26 -24.83 34.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -169.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.15 -58.7 3.98 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.86 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.13 -31.0 72.03 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.949 0.374 . . . . 0.0 111.045 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.44 HD11 ' CD2' ' A' ' 43' ' ' LEU . 42.5 mt -67.02 111.26 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 44.6 p -79.04 149.57 32.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.307 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -68.43 -18.34 64.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.32 -51.26 69.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.298 172.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -62.26 -40.69 97.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.128 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 25' ' ' THR . 66.7 mt -73.47 -21.54 60.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.118 -176.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -87.49 20.07 3.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.507 0.67 . . . . 0.0 110.433 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.52 -76.69 0.56 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.472 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.34 -165.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -168.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -69.19 0.2 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.495 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.58 110.26 2.23 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.557 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.532 ' ND1' ' HB3' ' A' ' 37' ' ' GLU . 1.9 p80 -173.63 157.57 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HA ' HD13 ' A' ' 39' ' ' LEU . . . -54.23 -37.64 64.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.301 0.572 . . . . 0.0 111.227 -174.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.532 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 36.2 tt0 -60.47 -33.52 72.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.026 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.484 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 77.6 t80 -74.49 -32.27 62.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.221 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 10.7 mp -59.7 -45.93 90.63 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.302 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 55' ' ' GLU . 46.8 t -56.5 -45.11 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.326 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.95 -45.46 95.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.219 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.528 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -60.78 -41.25 95.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.693 0.283 . . . . 0.0 111.061 178.01 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 93.4 mt -65.43 -35.93 82.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 13.4 mm-40 -75.12 -38.27 61.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.042 0.449 . . . . 0.0 110.609 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.04 -44.18 77.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.047 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.705 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -83.25 -58.21 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.408 -179.341 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -86.29 -67.22 0.83 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.169 0.509 . . . . 0.0 111.423 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.45 53.77 1.79 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.472 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 20.5 m0 -82.92 179.84 7.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 110.902 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.423 ' HB3' ' OE1' ' A' ' 52' ' ' GLU . 17.3 m -66.55 143.56 56.97 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 168.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -62.1 -42.78 99.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -169.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' OE1' ' HB3' ' A' ' 50' ' ' SER . 0.4 OUTLIER -72.04 -29.43 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.531 -177.825 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ttm-85 -65.92 -48.11 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.515 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.54 -50.72 72.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.7 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' HG2' HG21 ' A' ' 40' ' ' VAL . 42.7 mt-10 -64.24 -43.25 95.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.919 -178.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.36 -40.81 95.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.261 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.5 -33.1 74.93 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.899 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 54' ' ' ALA . 98.9 t -64.38 -45.17 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.421 . . . . 0.0 110.035 174.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -61.89 -42.96 99.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.855 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.9 -43.3 99.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.464 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 87.2 t80 -57.33 -46.26 83.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.604 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -68.89 -29.57 67.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.16 -37.8 84.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.984 0.421 . . . . 0.0 110.853 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -91.29 14.0 15.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.317 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.599 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.783 0.325 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -108.95 170.29 8.14 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -81.48 20.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.021 0.438 . . . . 0.0 111.037 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -78.6 2.21 20.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.155 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.4 m -72.56 -17.35 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.0 mm -78.09 -20.42 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.457 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -70.03 -24.04 63.21 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.499 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.9 140.56 15.48 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.653 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.8 mttp 69.88 17.11 7.61 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.008 0.523 . . . . 0.0 110.639 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.509 ' O ' HG23 ' A' ' 14' ' ' THR . 60.2 t-105 -50.47 -41.84 53.64 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.579 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -54.84 -39.34 68.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.6 tm0? -86.91 -35.45 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.991 -177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 87.8 mt -61.19 -26.31 67.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.862 -177.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.536 HG21 ' HB2' ' A' ' 30' ' ' GLN . 42.9 p -50.34 -39.93 47.67 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.746 0.308 . . . . 0.0 111.691 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.95 -39.65 98.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.54 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -75.95 -29.65 58.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.904 0.383 . . . . 0.0 110.688 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 13' ' ' LEU . 70.5 mt -67.15 -42.54 88.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.32 0.581 . . . . 0.0 109.749 174.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD2' ' HA2' ' A' ' 22' ' ' GLY . 21.0 tptm -65.03 -38.35 90.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.926 174.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.3 -43.07 82.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.847 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 20' ' ' ARG . 10.7 mmm-85 -71.18 -69.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.975 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.441 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . 15.5 m-90 -85.47 -44.6 12.59 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -168.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' HA2' ' HD2' ' A' ' 18' ' ' LYS . . . 85.04 -43.87 3.31 Favored Glycine 0 C--N 1.313 -0.722 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.296 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 6.5 m-20 -67.75 -23.28 65.22 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.914 0.357 . . . . 0.0 111.008 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.9 mt -74.6 109.53 8.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.226 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.729 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -57.71 128.99 39.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.225 175.698 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.74 -30.91 69.64 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.244 -0.285 . . . . 0.0 110.864 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -69.88 -22.6 63.22 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.037 0.446 . . . . 0.0 110.301 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.729 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 2.4 t70 -78.93 -41.1 30.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.644 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -74.03 -48.83 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.069 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.536 ' HB2' HG21 ' A' ' 14' ' ' THR . 10.4 tt0 -79.99 87.42 5.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.24 0.543 . . . . 0.0 109.739 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.73 -66.44 0.13 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.18 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.37 -153.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.94 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.35 -70.04 0.16 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.275 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.15 -20.51 3.77 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.802 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -46.91 142.3 3.54 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.557 0.178 . . . . 0.0 111.018 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.27 -32.88 57.34 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -170.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 37' ' ' GLU . 2.0 mp0 -57.67 -28.59 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -75.03 -38.27 61.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.46 -42.94 98.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.573 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.514 HG13 ' HB3' ' A' ' 54' ' ' ALA . 88.6 t -56.94 -46.25 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.459 175.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.78 -45.1 97.12 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.648 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.486 ' HD2' ' OD2' ' A' ' 28' ' ' ASP . 27.7 mmtp -69.61 -29.84 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.717 -0.284 . . . . 0.0 111.368 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.91 -37.78 86.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.046 0.451 . . . . 0.0 109.962 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.573 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 46.9 mt-30 -76.07 -14.92 60.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.195 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -90.96 -53.42 4.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.625 0.25 . . . . 0.0 110.898 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -73.98 -49.21 25.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 111.051 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.441 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 59.3 m-85 -92.17 -34.52 14.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.012 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.573 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 78.38 39.62 21.89 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.247 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -83.16 173.52 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 111.141 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.87 156.08 40.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.463 173.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 14.9 tmtt? -61.29 -51.83 67.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.744 0.307 . . . . 0.0 110.96 -175.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.77 -32.38 70.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 110.416 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 19.8 ttm180 -60.36 -46.67 89.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.232 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -61.79 -39.01 90.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.739 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 46.7 mt-10 -58.56 -46.67 86.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -61.25 -38.54 87.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.265 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 9.7 mm-40 -66.17 -42.05 89.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.698 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 54' ' ' ALA . 68.4 t -65.01 -32.6 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.18 0.514 . . . . 0.0 110.335 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 59' ' ' ARG . 22.1 ttm180 -64.03 -40.71 96.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.273 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.13 -42.68 99.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.303 0.573 . . . . 0.0 110.061 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.538 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 77.9 t80 -63.67 -46.26 86.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.782 178.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 65' ' ' LEU . 25.6 m -68.42 -29.7 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.589 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.56 -46.51 88.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.947 0.404 . . . . 0.0 111.184 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -87.84 16.06 6.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.699 -175.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 88.1 mt . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.563 172.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -129.46 -176.69 3.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.028 -177.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 m -79.49 -49.84 11.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 0.0 110.165 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -126.9 135.46 50.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 m -126.58 12.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.999 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 36' ' ' ALA . 43.0 mt -91.84 -17.08 7.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 121.378 0.609 . . . . 0.0 110.613 -176.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 35' ' ' HIS . 4.2 ttpm? -67.01 -11.83 58.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.419 0.628 . . . . 0.0 110.087 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.6 177.87 21.44 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.8 mptp? 60.91 15.86 6.41 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.294 0.547 . . . . 0.0 111.407 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 33.7 t-105 -54.72 -41.53 70.45 Favored 'General case' 0 C--N 1.333 -0.121 0 O-C-N 123.166 0.291 . . . . 0.0 111.42 -174.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -61.99 -23.84 66.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.832 0.349 . . . . 0.0 111.347 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -92.81 -25.65 18.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.893 0.378 . . . . 0.0 110.637 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 17' ' ' ILE . 87.8 mt -82.34 -38.44 24.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.597 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 10' ' ' TRP . 1.7 t -50.84 -39.21 52.8 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.02 -35.69 91.8 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.038 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 41.8 tttm -89.45 -18.86 25.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.129 0.49 . . . . 0.0 110.382 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 13' ' ' LEU . 83.5 mt -69.48 -43.72 80.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 174.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.9 -28.12 68.7 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.944 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 26.3 tt0 -62.59 -48.11 80.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.972 174.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 20' ' ' ARG . 21.6 ttt180 -70.88 -67.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.424 ' CE3' HG23 ' A' ' 17' ' ' ILE . 13.2 m-90 -89.83 99.19 12.24 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.46 -1.45 29.18 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 113.94 -173.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 28.7 t70 -102.67 -11.63 18.27 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.247 -0.561 . . . . 0.0 110.546 179.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD11 ' CD2' ' A' ' 43' ' ' LEU . 49.4 mt -83.71 99.06 10.0 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.08 150.84 30.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.198 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.03 -8.94 53.35 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.328 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.93 -35.23 76.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.481 0.658 . . . . 0.0 109.755 172.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.76 -31.99 16.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.224 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.66 10.11 8.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.768 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -63.12 122.59 16.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HB2' ' CD1' ' A' ' 10' ' ' TRP . . . -68.06 90.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -172.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.03 -47.47 8.9 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 168.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -137.56 97.94 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.246 -0.888 . . . . 0.0 108.964 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.54 108.75 3.07 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.987 -169.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 1.8 p80 -173.26 163.92 4.65 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.689 0.396 . . . . 0.0 110.125 173.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' HB2' ' HB ' ' A' ' 6' ' ' ILE . . . -63.66 -40.31 96.51 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -173.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.481 ' CD ' ' H ' ' A' ' 37' ' ' GLU . 1.8 mp0 -58.18 -29.96 66.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.816 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.486 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 66.0 t80 -69.78 -37.3 76.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.902 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 42.5 tp -62.89 -43.55 98.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.82 176.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.453 HG22 HG21 ' A' ' 58' ' ' VAL . 57.3 t -56.01 -46.86 80.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.128 176.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.34 -44.64 97.34 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.31 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 69.5 mmtt -67.34 -30.35 70.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.579 0.228 . . . . 0.0 111.498 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 93.5 mt -65.21 -32.84 74.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.959 0.409 . . . . 0.0 110.118 174.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -80.94 -24.68 37.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -80.12 -48.93 12.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.384 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -86.34 -49.02 7.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.767 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 23' ' ' ASP . 40.6 m-85 -87.49 -45.78 10.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.861 0.362 . . . . 0.0 110.738 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.55 38.36 5.89 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.045 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -83.19 163.72 20.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.11 0.481 . . . . 0.0 111.473 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.5 m -69.13 158.15 35.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.887 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -57.68 -54.02 51.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 -174.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.62 -40.05 92.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -177.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -59.63 -48.58 81.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.8 -48.14 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.08 -43.99 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.425 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 14.6 mm-40 -56.56 -36.81 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.558 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -82.47 -28.75 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.335 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 54' ' ' ALA . 75.9 t -64.13 -47.86 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.84 0.352 . . . . 0.0 110.283 174.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.503 ' HD2' ' OE1' ' A' ' 56' ' ' GLN . 4.4 ptp180 -72.77 -13.44 61.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -82.89 -32.02 27.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.293 0.568 . . . . 0.0 109.763 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.484 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 85.1 t80 -61.98 -41.93 98.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.017 175.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.527 ' HA ' HD12 ' A' ' 65' ' ' LEU . 30.3 m -69.55 -17.45 63.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.566 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.35 -31.43 63.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.597 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HD3' HH11 ' A' ' 64' ' ' ARG . 16.7 ttm180 -118.47 74.76 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.323 0.582 . . . . 0.0 110.378 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 62' ' ' SER . 54.0 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.908 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.888 0.375 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.46 85.92 7.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.176 0.512 . . . . 0.0 109.932 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -119.6 -29.69 5.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.334 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.498 ' OD2' ' HB2' ' A' ' 35' ' ' HIS . 14.8 t0 67.84 108.33 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.221 0.951 . . . . 0.0 111.212 177.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.8 m -85.93 -11.46 11.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.569 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mt -88.02 -19.43 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.577 0.703 . . . . 0.0 109.782 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HB2' ' HB3' ' A' ' 35' ' ' HIS . 61.7 tttp -67.0 -24.37 66.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.18 174.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.53 143.51 16.33 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.633 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt 63.74 26.64 14.52 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 122.558 0.343 . . . . 0.0 111.504 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' THR . 71.4 t-105 -59.93 -30.34 68.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.032 0.444 . . . . 0.0 110.228 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -64.66 -23.28 67.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.615 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -98.8 -45.08 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.331 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 17' ' ' ILE . 74.8 mt -61.65 -25.26 67.27 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.47 -173.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.847 HG21 HE21 ' A' ' 30' ' ' GLN . 3.2 p -51.89 -42.1 62.45 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.129 0.268 . . . . 0.0 111.599 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.5 -42.52 98.92 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.2 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.44 -35.72 75.93 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.718 -0.283 . . . . 0.0 111.003 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.504 HD13 HD21 ' A' ' 39' ' ' LEU . 90.1 mt -65.31 -44.07 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.33 0.586 . . . . 0.0 109.875 176.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 58.0 tttm -61.58 -46.84 88.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.903 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.21 -15.62 59.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.758 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -68.71 -59.43 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.972 0.415 . . . . 0.0 110.596 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.419 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 12.3 m-90 -94.82 -32.65 13.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.735 -176.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.71 -48.44 1.1 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.51 -0.853 . . . . 0.0 114.105 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -83.83 -12.41 55.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 111.387 -174.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 93.7 mt -71.68 129.16 38.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.061 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.6 p -90.14 155.97 18.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.38 -36.62 84.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.062 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.5 -45.68 89.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.653 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -29.54 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.214 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HB3' HG22 ' A' ' 14' ' ' THR . 85.0 mt -85.95 -46.46 10.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.885 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.847 HE21 HG21 ' A' ' 14' ' ' THR . 19.2 mm-40 -65.58 -10.05 32.0 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -177.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.44 69.44 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.21 -163.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -167.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -78.44 -45.14 22.95 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.419 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.91 -127.15 4.49 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.289 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.701 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 20.4 p80 55.98 157.78 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.812 1.245 . . . . 0.0 113.56 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.73 -41.99 78.46 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -170.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.701 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 32.7 mm-40 -51.01 -37.64 46.35 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -73.7 -31.49 63.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.811 0.338 . . . . 0.0 110.482 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 76.2 mt -60.33 -48.44 81.75 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.87 176.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.5 t -54.19 -37.99 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.499 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.58 -57.41 12.84 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.234 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.551 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 10.6 mmpt? -61.47 -36.97 81.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.31 . . . . 0.0 111.601 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 96.2 mt -68.5 -33.76 74.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.107 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 82.6 mt-30 -81.34 -28.31 34.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.297 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -69.35 -59.57 2.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.133 0.492 . . . . 0.0 110.9 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -71.99 -48.8 42.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.299 -173.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -97.24 -70.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 107.48 49.65 0.85 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.956 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.419 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 5.7 m0 -84.31 164.76 18.8 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -59.6 149.29 30.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 173.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -40.46 80.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.641 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.95 -49.43 76.15 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.263 0.554 . . . . 0.0 110.151 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 53' ' ' ARG . 23.4 ttt180 -61.46 -35.94 79.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.943 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.42 -51.7 67.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.613 177.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.51 -42.48 78.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.051 0.453 . . . . 0.0 110.842 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -51.92 -53.88 35.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.099 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -68.48 -27.45 66.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.885 -176.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 54' ' ' ALA . 79.5 t -64.83 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.218 175.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -67.27 -38.08 84.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.31 -23.58 64.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.791 0.329 . . . . 0.0 110.73 178.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -69.02 -37.46 78.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.607 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 p -74.78 -2.69 27.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.765 0.316 . . . . 0.0 111.756 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.05 -50.86 9.14 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 172.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.466 ' C ' ' HE ' ' A' ' 64' ' ' ARG . 1.2 tpm_? -101.85 69.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.933 0.873 . . . . 0.0 108.986 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--O 1.247 0.946 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.652 178.671 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -126.51 -79.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.444 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 p -104.74 7.4 34.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.772 ' HB3' ' HE3' ' A' ' 7' ' ' LYS . 12.7 t0 68.68 117.05 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.91 0.756 . . . . 0.0 111.636 -177.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.9 m -90.05 -12.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.418 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.48 -22.16 26.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.159 0.504 . . . . 0.0 110.307 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.772 ' HE3' ' HB3' ' A' ' 4' ' ' ASP . 92.3 mttt -60.21 -33.33 72.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.949 176.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.8 -14.65 10.02 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.641 -175.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -107.84 12.13 27.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 117.093 0.447 . . . . 0.0 111.345 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.651 ' HE1' ' HA ' ' A' ' 30' ' ' GLN . 68.3 t-105 -51.27 -55.1 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.936 0.346 . . . . 0.0 111.936 -176.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.583 ' HA ' HG23 ' A' ' 14' ' ' THR . 52.1 tttp -73.18 -17.26 61.39 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.829 -176.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -78.64 -20.2 50.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.216 0.531 . . . . 0.0 109.955 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.511 ' HB3' HG13 ' A' ' 17' ' ' ILE . 95.9 mt -105.77 7.64 32.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.371 -174.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.583 HG23 ' HA ' ' A' ' 11' ' ' LYS . 3.4 p -58.36 -32.63 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.495 ' O ' ' HG2' ' A' ' 19' ' ' GLU . . . -93.17 -38.27 5.44 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.778 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -63.69 -44.12 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.929 0.491 . . . . 0.0 111.765 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.511 HG13 ' HB3' ' A' ' 13' ' ' LEU . 76.7 mt -62.06 -38.2 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.076 0.465 . . . . 0.0 110.661 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -68.34 -28.98 67.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.57 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 15' ' ' GLY . 32.5 mm-40 -77.18 -33.11 56.5 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.819 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.57 -43.65 89.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.586 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 11.8 m-90 -111.78 -93.53 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.285 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.33 -47.12 0.61 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 119.452 -1.356 . . . . 0.0 114.432 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.63 -22.29 60.97 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 117.276 0.538 . . . . 0.0 110.824 -173.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.459 HD23 ' HG2' ' A' ' 46' ' ' ARG . 89.8 mt -64.3 116.83 6.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.462 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.4 p -82.51 172.66 12.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 111.233 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -71.81 -20.04 61.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.04 -173.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -83.13 -28.78 29.19 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.504 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -76.75 -24.3 52.98 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 174.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.431 ' O ' HG22 ' A' ' 14' ' ' THR . 81.9 mt -93.04 20.29 6.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.023 176.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.651 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . 21.2 tp60 -142.52 -179.64 6.42 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.593 ' H ' ' HG3' ' A' ' 30' ' ' GLN . . . 59.09 43.7 17.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.41 0.624 . . . . 0.0 110.074 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 10' ' ' TRP . . . -67.19 143.94 56.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.423 -173.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -79.42 -17.58 54.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 168.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 35' ' ' HIS . . . 93.02 56.28 1.51 Allowed Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.018 -0.992 . . . . 0.0 114.063 169.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.675 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 7.5 p80 174.3 155.51 0.13 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 117.046 0.423 . . . . 0.0 111.23 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.47 71.41 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.675 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 3.2 mp0 -58.36 -25.76 62.38 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.846 0.355 . . . . 0.0 111.166 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -72.57 -33.89 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 109.963 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 31.2 tp -69.43 -40.64 77.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.575 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.486 HG22 HG21 ' A' ' 58' ' ' VAL . 59.0 t -58.98 -46.64 91.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.059 175.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.57 -42.13 97.59 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.025 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 53.6 mmtt -63.91 -31.76 73.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 87.9 mt -68.76 -36.82 78.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.866 0.365 . . . . 0.0 110.492 176.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 50.9 mt-30 -76.35 -20.4 57.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.013 0.435 . . . . 0.0 110.834 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.37 -51.86 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.023 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.459 ' HG2' HD23 ' A' ' 24' ' ' LEU . 7.6 tpt180 -77.93 -46.23 21.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 -176.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -94.74 -52.07 4.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.853 0.358 . . . . 0.0 111.014 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 94.55 42.27 3.96 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.907 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -86.99 176.88 7.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.2 m -72.9 156.06 39.25 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.415 ' HB2' ' HE3' ' A' ' 51' ' ' LYS . 34.0 ttmt -59.25 -47.33 85.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.615 0.245 . . . . 0.0 111.213 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -62.34 -43.96 97.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.372 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -56.1 -42.32 76.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.108 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.59 -44.69 81.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.992 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.42 -42.78 88.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.804 0.335 . . . . 0.0 111.133 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -59.36 -42.86 92.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.978 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -65.3 -38.47 90.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.004 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.486 HG21 HG22 ' A' ' 40' ' ' VAL . 85.5 t -65.82 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.362 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -63.4 -33.24 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.609 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.53 -55.73 18.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.095 0.474 . . . . 0.0 109.847 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -58.79 -40.8 85.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.503 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.0 p -69.69 -19.36 63.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -74.77 -23.28 58.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.241 0.543 . . . . 0.0 110.06 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 7.8 35.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.004 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.772 -0.633 . . . . 0.0 110.498 -179.497 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtt . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.56 -51.52 69.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.182 -172.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m -71.69 -14.14 61.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.145 0.497 . . . . 0.0 111.402 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.573 ' HA ' ' HB3' ' A' ' 7' ' ' LYS . 7.5 m-20 -101.84 24.65 9.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.323 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.489 HG13 ' H ' ' A' ' 6' ' ' ILE . 4.1 p -60.92 -58.94 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.489 ' H ' HG13 ' A' ' 5' ' ' VAL . 62.2 mt -91.92 -27.96 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.445 0.641 . . . . 0.0 110.029 177.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HB3' ' HA ' ' A' ' 4' ' ' ASP . 66.6 tttt -56.52 -37.1 69.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.502 178.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 9' ' ' LYS . . . -113.74 144.41 18.18 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 33.8 mtmm 79.54 15.61 0.92 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.662 0.785 . . . . 0.0 110.215 -175.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.435 ' O ' HG23 ' A' ' 14' ' ' THR . 55.8 t-105 -50.82 -43.27 58.92 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.426 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -20.43 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.242 -176.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 12' ' ' GLN . 9.6 mm-40 -91.34 -30.39 16.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.195 0.522 . . . . 0.0 110.342 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.2 mt -81.52 -9.0 59.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.064 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 10' ' ' TRP . 15.6 p -46.49 -55.17 7.91 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -177.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.12 -31.18 75.83 Favored Glycine 0 CA--C 1.517 0.219 0 C-N-CA 121.113 -0.565 . . . . 0.0 113.139 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -82.93 -38.97 22.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.855 0.36 . . . . 0.0 110.305 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG23 ' HZ3' ' A' ' 21' ' ' TRP . 81.8 mt -62.99 -48.94 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.3 0.572 . . . . 0.0 109.695 175.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 43.9 tttm -53.57 -50.08 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.504 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -84.55 -5.85 59.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.373 -168.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.474 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 49.6 ttt-85 -74.81 -55.17 6.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.308 0.575 . . . . 0.0 109.674 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.457 ' CD1' ' HH2' ' A' ' 49' ' ' TRP . 20.7 m-90 -82.35 -36.13 27.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.0 -31.0 5.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.144 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.422 ' OD2' ' HB3' ' A' ' 46' ' ' ARG . 34.6 t70 -84.63 -34.66 23.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.174 0.487 . . . . 0.0 110.947 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD23 ' HG3' ' A' ' 46' ' ' ARG . 88.2 mt -57.71 130.06 44.7 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.399 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.3 p -96.77 160.05 14.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -71.38 -10.58 60.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.418 . . . . 0.0 109.891 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.41 -41.08 61.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.318 174.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -66.94 -30.67 70.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.189 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -92.06 7.99 39.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.716 -172.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -125.5 18.78 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.623 0.725 . . . . 0.0 109.349 175.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.45 -60.2 2.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.756 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.78 -157.7 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -167.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.551 ' HB3' ' HD2' ' A' ' 35' ' ' HIS . 15.8 t70 -50.81 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.81 -173.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' HA2' ' CD2' ' A' ' 10' ' ' TRP . . . 146.28 -23.64 1.72 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.439 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.551 ' HD2' ' HB3' ' A' ' 33' ' ' ASP . 3.6 p80 -50.25 132.23 24.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.8 0.3 . . . . 0.0 110.455 175.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.561 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -52.17 -33.47 40.67 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.611 0.569 . . . . 0.0 112.043 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.502 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 62.4 tt0 -50.84 -34.54 28.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.547 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -69.63 -42.35 74.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.171 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.781 HD11 HG22 ' A' ' 58' ' ' VAL . 2.4 pp -70.84 -22.12 62.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.498 HG22 HG21 ' A' ' 58' ' ' VAL . 93.8 t -60.61 -46.26 95.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.695 171.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.17 -35.59 92.28 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.738 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 54.6 mmtt -64.32 -35.31 80.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.554 0.216 . . . . 0.0 111.097 176.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 86.8 mt -67.04 -35.45 79.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.956 0.408 . . . . 0.0 110.086 176.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -71.78 -30.96 66.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.288 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.39 -59.21 2.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.055 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HG3' HD23 ' A' ' 24' ' ' LEU . 14.1 mmm180 -69.95 -44.72 68.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.637 -174.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -102.07 -61.62 1.36 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.83 0.347 . . . . 0.0 110.824 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.83 51.4 0.9 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.416 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.457 ' HH2' ' CD1' ' A' ' 21' ' ' TRP . 14.6 m0 -91.71 169.02 11.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.164 0.507 . . . . 0.0 110.89 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 m -74.62 158.16 34.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.443 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.17 -45.79 90.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.83 -172.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -63.17 -31.8 73.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.964 0.411 . . . . 0.0 111.437 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -75.12 -44.19 48.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.759 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -60.2 -44.58 95.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.827 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.89 -39.5 92.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.186 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.26 -42.41 98.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.767 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HG3' ' CZ3' ' A' ' 49' ' ' TRP . 46.3 mm-40 -60.92 -44.49 97.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.754 177.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.781 HG22 HD11 ' A' ' 39' ' ' LEU . 59.0 t -63.21 -43.95 99.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.456 177.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -62.08 -42.87 99.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.951 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -59.4 -45.81 90.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.077 0.465 . . . . 0.0 110.303 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.496 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 88.4 t80 -63.71 -49.36 73.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.984 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -67.07 -34.69 78.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.611 -175.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -70.75 -29.53 65.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.079 0.466 . . . . 0.0 110.424 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -93.42 13.08 22.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.499 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 70.7 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.107 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.459 ' HG3' ' H ' ' A' ' 2' ' ' ASN . 22.3 ptt? . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 111.205 0.076 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.459 ' H ' ' HG3' ' A' ' 1' ' ' MET . 24.7 t-20 -177.19 -68.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -78.05 52.45 1.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.476 0.655 . . . . 0.0 109.916 176.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -81.45 95.98 7.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.473 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.09 -16.44 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.325 0.583 . . . . 0.0 110.799 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.508 ' HA ' HD12 ' A' ' 13' ' ' LEU . 30.7 mt -65.86 -27.88 42.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.42 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -58.59 -36.1 73.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.257 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.87 -52.48 1.39 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.99 -175.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -89.71 29.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.632 0.253 . . . . 0.0 111.62 -174.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -51.48 -45.28 62.75 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.988 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.86 -12.28 61.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -175.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -98.72 -28.63 13.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.224 0.535 . . . . 0.0 110.151 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 6' ' ' ILE . 92.5 mt -84.21 0.8 47.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.46 -176.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 p -54.04 -54.42 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.502 . . . . 0.0 110.728 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -72.23 -13.27 76.64 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.706 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -38.38 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.986 0.422 . . . . 0.0 110.193 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.518 HG23 ' CE3' ' A' ' 21' ' ' TRP . 76.1 mt -66.14 -44.99 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.376 0.608 . . . . 0.0 109.703 175.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.19 -33.9 72.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.527 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 20.7 tt0 -67.0 -26.95 67.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.785 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 20' ' ' ARG . 36.9 ttt85 -90.49 -71.3 0.63 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 -178.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.518 ' CE3' HG23 ' A' ' 17' ' ' ILE . 5.3 m-90 -82.89 -47.88 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 110.886 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.2 -39.11 2.87 Favored Glycine 0 C--N 1.314 -0.657 0 C-N-CA 120.923 -0.656 . . . . 0.0 114.366 172.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.68 -28.64 68.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 117.118 0.459 . . . . 0.0 110.686 -176.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.42 126.09 26.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.849 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.6 p -82.35 168.24 17.74 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.334 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.92 -27.91 68.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.206 0.527 . . . . 0.0 109.96 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.79 -31.25 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.992 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -70.81 -34.13 71.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.275 0.56 . . . . 0.0 110.292 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.5 mt -100.33 4.36 43.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.039 -171.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 30' ' ' GLN . 6.8 tt0 -122.67 19.21 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.226 0.536 . . . . 0.0 110.453 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB3' ' OH ' ' A' ' 38' ' ' TYR . . . -99.83 -83.3 0.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.524 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . . . -99.31 -164.86 1.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -170.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -70.37 156.09 39.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.632 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.83 24.48 23.88 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.675 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 3.5 p80 -62.81 149.92 42.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.899 0.349 . . . . 0.0 110.401 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.43 68.35 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HB2' ' ND1' ' A' ' 35' ' ' HIS . 24.0 mm-40 -55.97 -28.81 58.72 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.834 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.524 ' CE1' ' HB3' ' A' ' 32' ' ' ALA . 53.3 t80 -70.66 -42.03 71.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.896 0.379 . . . . 0.0 110.372 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 7.9 mp -67.11 -46.76 73.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.751 176.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.515 ' HA ' ' HB1' ' A' ' 54' ' ' ALA . 77.2 t -53.91 -49.32 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.627 177.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.83 -44.9 97.48 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.807 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.618 ' HG2' ' OE1' ' A' ' 45' ' ' GLU . 17.4 mttm -72.23 -27.45 62.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.918 0.359 . . . . 0.0 111.925 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 92.0 mt -68.91 -31.87 71.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 173.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -77.45 -28.67 52.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.587 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.618 ' OE1' ' HG2' ' A' ' 42' ' ' LYS . 45.9 mt-10 -69.04 -63.21 1.1 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.123 0.487 . . . . 0.0 110.877 175.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -77.46 -46.15 23.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.185 -169.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.448 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 73.3 m-85 -95.95 -38.54 10.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 0.0 111.234 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.24 40.78 8.92 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.834 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -83.05 168.61 16.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 110.637 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.7 m -76.49 153.23 35.7 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 172.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.59 -38.93 89.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.559 0.219 . . . . 0.0 110.784 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.6 -44.59 81.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.187 0.518 . . . . 0.0 110.188 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -70.21 -41.61 73.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.582 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 40' ' ' VAL . . . -58.71 -51.62 69.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.349 177.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.67 -46.27 74.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 175.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -61.06 -44.9 96.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -64.96 -42.06 94.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.45 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 54' ' ' ALA . 93.3 t -64.18 -47.78 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.757 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -62.67 -32.69 73.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.464 0.65 . . . . 0.0 110.583 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 34.0 t70 -75.8 -31.58 59.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.789 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 60.1 t80 -64.32 -44.41 91.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.518 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.552 ' HA ' HD12 ' A' ' 65' ' ' LEU . 5.5 p -67.95 -14.65 63.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.855 0.36 . . . . 0.0 111.198 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.507 ' HB3' ' O ' ' A' ' 60' ' ' ASP . 21.4 t70 -68.18 -30.37 69.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -106.67 20.17 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.351 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 62' ' ' SER . 89.7 mt . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.337 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.676 0.274 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -145.32 152.55 40.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 0.0 110.896 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -110.32 -26.87 9.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.361 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.42 127.75 33.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.249 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.2 t -123.93 -17.92 4.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.534 173.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.7 mt -88.64 -4.35 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.921 -166.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -74.58 -5.51 43.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.738 . . . . 0.0 109.526 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -143.74 169.58 26.01 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.9 mttt 63.33 21.68 12.92 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.552 0.341 . . . . 0.0 111.286 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.557 ' CE2' ' HB3' ' A' ' 32' ' ' ALA . 57.3 t-105 -54.18 -46.8 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.675 -176.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -77.28 -13.01 60.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 0.0 110.783 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -98.62 -12.57 20.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -106.25 7.64 31.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.823 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 29' ' ' LEU . 17.2 p -56.96 -52.61 64.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.577 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.41 -35.28 91.84 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.468 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -65.26 -42.16 93.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.008 0.433 . . . . 0.0 110.149 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.489 HG23 ' CE3' ' A' ' 21' ' ' TRP . 98.8 mt -70.5 -45.95 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -63.35 -24.17 67.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.64 -37.79 87.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.282 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -84.58 -55.22 4.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.732 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.489 ' CE3' HG23 ' A' ' 17' ' ' ILE . 6.0 m0 -107.64 108.11 19.22 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.659 -175.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.07 -7.75 84.89 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.515 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.414 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 2.5 m-20 -83.86 -6.69 59.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.065 0.459 . . . . 0.0 110.634 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.4 mt -93.8 112.92 24.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.57 175.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.1 p -81.16 177.53 8.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.195 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.97 -37.33 76.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.265 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.02 -40.49 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.93 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -60.69 -38.21 84.21 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.818 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.495 ' HB3' HG22 ' A' ' 14' ' ' THR . 78.7 mt -92.4 -0.0 57.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.346 -176.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -101.32 -44.6 5.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.264 0.554 . . . . 0.0 109.53 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.65 95.5 9.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.269 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.557 ' HB3' ' CE2' ' A' ' 10' ' ' TRP . . . -172.68 144.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.98 174.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.05 -33.06 63.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.128 0.489 . . . . 0.0 109.968 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.8 87.88 1.95 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.688 -0.767 . . . . 0.0 113.195 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 1.5 p80 -174.0 149.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 171.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' HB1' HG11 ' A' ' 58' ' ' VAL . . . -53.06 -37.51 61.67 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.822 0.701 . . . . 0.0 112.259 -173.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 40.9 tt0 -59.05 -34.46 71.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.375 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.48 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 36.0 t80 -75.71 -26.97 58.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 110.213 -176.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 10.2 mp -68.18 -39.31 82.56 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 174.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.88 -43.74 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.568 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.528 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -60.81 -50.47 67.18 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.205 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -61.2 -39.54 90.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.777 0.289 . . . . 0.0 111.713 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 84.5 mt -66.6 -36.14 81.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.917 0.389 . . . . 0.0 110.432 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -46.78 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 176.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 51.7 mm-40 -73.39 -41.26 63.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.878 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -82.57 -60.84 2.06 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 23' ' ' ASP . 35.0 m-85 -75.88 -56.96 4.17 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.059 0.456 . . . . 0.0 111.222 -177.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.1 38.17 3.41 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.441 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 45.1 m0 -84.0 160.39 21.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.694 0.283 . . . . 0.0 110.485 177.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 p -68.45 155.32 40.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.37 -42.17 98.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.517 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.22 -43.77 98.34 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.937 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -64.85 -46.86 80.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.382 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -55.68 -53.95 50.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.574 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -49.0 -46.9 44.62 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.26 0.553 . . . . 0.0 111.315 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -66.38 -48.59 69.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.178 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.483 ' HA ' ' HB3' ' A' ' 60' ' ' ASP . 21.4 mt-10 -72.43 -23.85 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 54' ' ' ALA . 55.6 t -65.69 -46.25 89.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 0.0 110.211 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -69.81 -37.72 76.36 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.903 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 57' ' ' GLU . 19.7 t70 -56.65 -35.79 68.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.504 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -68.03 -43.67 78.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.377 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.415 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 20.0 m -67.52 -28.89 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.208 0.527 . . . . 0.0 110.56 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.14 -30.31 66.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.296 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -89.18 7.17 36.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.155 -177.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' ' 62' ' ' SER . 86.9 mt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.576 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 66.4 mtt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.855 0.359 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -74.91 -33.73 62.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.071 0.462 . . . . 0.0 110.199 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p -79.62 42.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.398 0.618 . . . . 0.0 110.452 177.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.517 ' HB3' ' HG3' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -97.39 106.58 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.003 -174.658 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.3 m -98.45 -5.27 9.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.229 0.537 . . . . 0.0 110.148 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.443 HG23 HD23 ' A' ' 13' ' ' LEU . 16.6 mt -85.81 2.7 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.777 -175.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.517 ' HG3' ' HB3' ' A' ' 4' ' ' ASP . 53.7 mttm -77.31 -7.7 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.987 0.422 . . . . 0.0 110.36 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.28 172.37 23.84 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 178.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 mttm 64.2 16.98 10.43 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.699 0.4 . . . . 0.0 110.663 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -56.66 -39.7 74.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.188 -173.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -67.17 -23.75 65.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.799 0.333 . . . . 0.0 111.04 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -91.74 -29.97 16.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.924 0.392 . . . . 0.0 110.482 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.443 HD23 HG23 ' A' ' 6' ' ' ILE . 7.9 mp -72.81 -11.67 60.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.513 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -48.3 -67.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.66 -30.16 75.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.921 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -66.61 -44.53 81.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.987 0.422 . . . . 0.0 110.337 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.19 -38.51 70.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.283 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -55.23 -49.8 71.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.647 175.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -74.18 -18.98 60.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.151 0.5 . . . . 0.0 111.014 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -40.0 60.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.328 -178.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.509 ' HB2' HD12 ' A' ' 24' ' ' LEU . 4.8 m-90 -121.76 5.68 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 -177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.17 -71.67 1.45 Allowed Glycine 0 CA--C 1.519 0.305 0 C-N-CA 121.181 -0.533 . . . . 0.0 114.314 170.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.486 ' OD2' ' HD3' ' A' ' 46' ' ' ARG . 16.8 t70 -70.29 -24.03 62.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -171.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.57 HD23 ' HG3' ' A' ' 46' ' ' ARG . 27.9 mt -59.48 105.32 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.73 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.593 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 36.8 m -79.77 149.28 31.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.636 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -53.78 -39.14 65.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.22 -36.63 84.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.288 -176.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.593 ' OD2' ' HB ' ' A' ' 25' ' ' THR . 14.6 m-20 -69.72 -27.25 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.192 0.52 . . . . 0.0 110.848 -178.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.65 -48.15 7.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.731 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -71.5 4.25 3.2 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.319 0.58 . . . . 0.0 110.909 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.5 -64.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.21 -178.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.47 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . . . -117.32 -96.0 0.47 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -144.72 172.63 12.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 111.998 -170.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 7' ' ' LYS . . . -109.59 129.75 9.6 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.636 -0.711 . . . . 0.0 113.389 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 2.0 p80 178.94 153.33 0.38 Allowed 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 174.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.19 -47.87 12.49 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 37' ' ' GLU . 2.4 mp0 -58.49 -28.07 65.03 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.559 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 49.8 t80 -74.66 -39.71 61.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.5 mp -65.08 -48.33 74.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.601 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -52.85 -47.08 52.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.655 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.91 -47.24 91.94 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.623 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 69.3 mmtt -65.65 -32.42 73.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.729 0.265 . . . . 0.0 111.462 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 95.4 mt -66.07 -34.17 77.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 110.247 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.512 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 55.1 mt-30 -83.93 -15.02 49.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.0 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -82.72 -51.31 7.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.94 0.4 . . . . 0.0 110.434 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.57 ' HG3' HD23 ' A' ' 24' ' ' LEU . 4.4 mmp_? -70.84 -58.42 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.596 -177.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -98.12 -45.8 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.004 0.43 . . . . 0.0 111.21 -177.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 86.57 57.27 2.1 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.613 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.496 ' CZ3' ' HG3' ' A' ' 57' ' ' GLU . 25.2 m0 -84.38 174.02 10.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.985 0.421 . . . . 0.0 110.415 176.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 m -70.62 146.26 50.15 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 167.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.61 -35.26 75.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.817 0.341 . . . . 0.0 110.612 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.28 -43.2 99.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 53' ' ' ARG . 21.1 ttp-105 -68.49 -36.26 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.453 178.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.54 -45.04 94.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.609 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.51 -40.64 83.41 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.153 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -52.03 -56.12 16.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.208 0.528 . . . . 0.0 110.242 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.507 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 33.8 mm-40 -61.48 -40.46 94.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.487 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 54' ' ' ALA . 82.4 t -60.86 -46.51 96.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.721 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -66.72 -38.49 86.8 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.171 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.92 -37.88 77.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.163 0.506 . . . . 0.0 110.626 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -76.09 -41.66 49.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.717 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 m -64.0 -35.79 81.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.41 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -74.63 -17.34 60.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.328 0.585 . . . . 0.0 110.361 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -85.27 -19.32 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.634 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.724 -177.939 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.561 0.22 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -83.2 108.59 16.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -71.34 95.29 1.31 Allowed 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' CG ' ' HA ' ' A' ' 35' ' ' HIS . 21.4 t70 -103.76 148.97 25.45 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.511 -169.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.7 m -114.01 -1.15 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.035 0.445 . . . . 0.0 111.649 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 13' ' ' LEU . 51.8 mt -91.88 -27.16 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.264 0.554 . . . . 0.0 109.668 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.766 ' HA ' ' HA3' ' A' ' 34' ' ' GLY . 25.5 ttpp -56.59 -24.28 46.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.099 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.31 0.04 43.8 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.681 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -135.33 19.03 3.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.805 0.336 . . . . 0.0 110.279 -176.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.456 ' CE3' ' HA2' ' A' ' 34' ' ' GLY . 57.5 t-105 -49.15 -57.33 6.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.674 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -81.63 -6.4 58.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.204 0.526 . . . . 0.0 110.63 -174.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -98.45 -9.96 24.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD12 HG23 ' A' ' 6' ' ' ILE . 70.8 mt -109.13 -1.23 18.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.212 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.4 p -52.56 -45.12 66.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.411 -177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.23 -46.25 94.34 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.632 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -67.69 -37.97 83.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.92 0.39 . . . . 0.0 110.565 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 13' ' ' LEU . 79.5 mt -64.76 -44.97 96.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.427 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 86.3 tttt -57.97 -44.35 87.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.957 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -67.64 -28.43 67.72 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 20' ' ' ARG . 14.8 ttm180 -72.37 -53.61 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.553 -177.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -97.84 -17.17 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.042 -174.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.1 -54.03 4.45 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.012 -0.613 . . . . 0.0 114.442 170.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.71 -17.8 59.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.821 0.343 . . . . 0.0 111.532 -173.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD13 HD21 ' A' ' 29' ' ' LEU . 96.1 mt -69.53 121.21 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.947 177.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -88.11 169.54 11.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 0.0 111.077 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 6.5 m-20 -67.11 -29.04 68.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.35 -33.57 23.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.888 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.75 -27.84 66.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.449 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD21 HD13 ' A' ' 24' ' ' LEU . 98.0 mt -92.13 23.4 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.342 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 31.0 mm-40 -111.99 152.29 28.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 176.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 66.91 96.19 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.925 0.766 . . . . 0.0 112.322 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.21 175.07 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.435 ' HB2' ' HD2' ' A' ' 35' ' ' HIS . 2.7 m-20 -73.37 -50.77 20.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 171.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.766 ' HA3' ' HA ' ' A' ' 7' ' ' LYS . . . 121.33 -24.76 7.21 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.673 -177.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -57.26 140.96 48.34 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.674 0.273 . . . . 0.0 111.588 -177.119 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.04 -38.3 4.79 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -176.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.59 -25.58 64.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.665 0.269 . . . . 0.0 111.276 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -74.59 -34.33 62.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.1 mp -65.78 -38.03 87.92 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.893 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.54 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 57.7 t -56.86 -46.52 83.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.097 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.83 -46.32 94.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.01 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -60.3 -43.38 96.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.598 0.237 . . . . 0.0 111.4 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 96.0 mt -64.83 -32.59 74.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.628 0.251 . . . . 0.0 111.188 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.541 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 7.2 mm-40 -73.28 -37.47 66.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.787 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -74.86 -35.19 62.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.591 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.452 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER -75.82 -55.22 5.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.693 -179.427 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.41 -69.56 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.278 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.67 82.55 1.63 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.997 -175.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -114.22 -177.02 3.03 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -58.4 138.03 56.84 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 167.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 4.5 ttpt -59.43 -40.27 86.23 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.276 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.17 -48.39 81.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.086 0.47 . . . . 0.0 109.911 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -59.25 -42.38 90.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.881 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.93 85.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.643 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 26.2 mt-10 -59.08 -49.03 79.43 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.835 177.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 56' ' ' GLN . 16.5 mm-40 -60.05 -33.91 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.407 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -61.39 -40.52 94.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.656 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.435 HG13 HD22 ' A' ' 39' ' ' LEU . 25.0 t -77.39 -35.42 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.742 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 36.3 mmt180 -61.91 -43.71 98.29 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.485 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.63 -45.76 85.02 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.185 0.517 . . . . 0.0 110.685 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -62.18 -50.51 71.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.705 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m -66.0 -28.13 68.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.226 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.88 -31.92 71.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.23 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 69.3 ttt180 -94.99 22.3 6.72 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.37 0.605 . . . . 0.0 110.591 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.709 -0.662 . . . . 0.0 109.854 176.613 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.286 0.089 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.6 t30 68.96 25.39 6.01 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.511 0.672 . . . . 0.0 111.253 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 p -95.41 16.28 17.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.607 0.718 . . . . 0.0 109.522 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 10.1 m-20 -63.99 110.98 2.31 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.558 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.3 m -89.15 -10.39 10.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.222 0.535 . . . . 0.0 110.728 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 13' ' ' LEU . 31.4 mt -87.73 -20.54 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.826 -176.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 63.4 pttt -60.91 -21.94 63.85 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.407 -172.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.02 -54.14 1.67 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.895 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 4.1 mptp? -95.65 24.79 5.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -172.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.601 ' CE3' ' HA3' ' A' ' 34' ' ' GLY . 51.4 t-105 -53.21 -41.63 65.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.069 177.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -60.68 -24.57 65.71 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.588 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.864 ' HA ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -98.58 -25.64 14.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.99 0.424 . . . . 0.0 111.013 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 6' ' ' ILE . 91.1 mt -84.99 6.3 25.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.482 -176.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.7 p -56.29 -47.92 77.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.042 0.449 . . . . 0.0 111.123 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.71 -35.27 89.52 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.004 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -64.34 -48.43 75.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.59 0.233 . . . . 0.0 111.058 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.483 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 88.0 mt -60.74 -41.59 88.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -64.64 -41.02 96.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.046 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.54 -24.39 60.12 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.833 0.349 . . . . 0.0 111.379 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.522 ' NH2' ' HA ' ' A' ' 61' ' ' PHE . 11.0 mmt180 -69.46 -63.36 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.044 0.449 . . . . 0.0 110.783 175.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.483 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 16.4 m-90 -93.13 -66.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.486 -175.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.14 -46.06 1.17 Allowed Glycine 0 C--N 1.313 -0.718 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.909 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.08 -25.76 63.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.88 0.371 . . . . 0.0 111.475 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.21 104.96 9.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.382 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.533 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 70.4 p -72.56 159.66 33.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.941 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.19 -8.92 57.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.942 0.401 . . . . 0.0 110.346 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -80.51 -32.13 37.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.894 171.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.95 -26.59 63.24 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.329 0.585 . . . . 0.0 109.448 172.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 25' ' ' THR . 58.7 mt -95.23 18.49 12.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.723 -176.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -118.51 92.89 3.93 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.07 -151.37 0.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.862 -172.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 -155.63 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.969 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -62.66 121.69 13.99 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 111.09 -175.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.601 ' HA3' ' CE3' ' A' ' 10' ' ' TRP . . . -81.36 67.96 3.54 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.968 -178.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.633 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 5.9 p80 -92.0 166.57 12.62 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.68 79.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -172.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.633 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 74.4 mm-40 -60.25 -25.35 65.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.645 0.259 . . . . 0.0 111.435 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -76.16 -38.61 56.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.1 -42.51 99.29 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.363 175.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 60.6 t -55.01 -39.74 50.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.282 177.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.81 -49.86 65.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.435 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 57.4 mmtt -66.92 -34.78 78.52 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.724 -0.28 . . . . 0.0 111.61 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 47' ' ' TYR . 84.8 mt -71.83 -30.19 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.906 0.384 . . . . 0.0 110.462 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 1.2 mm-40 -75.3 -29.79 60.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.35 0.595 . . . . 0.0 110.121 174.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -78.0 -54.32 6.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.501 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -81.8 -30.48 32.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.748 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 80.8 m-85 -111.41 -54.85 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 111.467 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.55 37.85 4.13 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.897 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -82.87 163.53 21.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.814 0.34 . . . . 0.0 111.253 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.7 m -65.87 156.82 32.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.606 173.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -60.7 -46.12 91.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.879 0.371 . . . . 0.0 110.051 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -65.45 -39.02 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.931 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -57.31 -49.73 75.17 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.529 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.33 -40.94 98.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.779 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.88 -46.53 71.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.514 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.75 -30.78 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.437 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -71.91 -41.41 67.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.865 0.364 . . . . 0.0 110.315 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 54' ' ' ALA . 91.2 t -63.93 -39.04 84.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.026 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -61.9 -51.14 69.37 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.328 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.87 -37.07 75.69 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.031 0.443 . . . . 0.0 110.815 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.522 ' HA ' ' NH2' ' A' ' 20' ' ' ARG . 46.5 t80 -63.11 -48.62 77.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.413 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 p -87.1 -17.05 33.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.825 0.345 . . . . 0.0 111.833 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.01 -40.16 28.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.078 0.466 . . . . 0.0 109.898 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.466 ' HB3' HH22 ' A' ' 20' ' ' ARG . 33.1 ttt180 -96.74 67.1 2.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.916 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.44 -0.79 . . . . 0.0 109.477 174.196 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.113 0.483 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -134.59 -156.79 0.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 m -60.59 -29.37 69.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.904 0.383 . . . . 0.0 110.986 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -80.86 83.48 6.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.967 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -78.71 -10.5 12.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.385 0.612 . . . . 0.0 109.552 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -92.02 3.6 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.634 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.652 ' HA ' ' O ' ' A' ' 34' ' ' GLY . 82.7 tttt -72.03 -26.73 62.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.758 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.99 157.84 15.11 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp 65.34 28.09 11.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.697 0.284 . . . . 0.0 110.745 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.544 ' O ' HG23 ' A' ' 14' ' ' THR . 50.4 t-105 -50.42 -41.52 52.54 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.758 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -71.11 -29.88 65.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.523 0.202 . . . . 0.0 111.365 -176.566 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -80.74 -39.33 27.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.01 0.434 . . . . 0.0 110.85 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.469 ' O ' HG13 ' A' ' 17' ' ' ILE . 98.9 mt -71.61 -15.06 62.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.606 -175.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 10' ' ' TRP . 44.2 p -49.2 -49.63 41.87 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 123.452 0.47 . . . . 0.0 111.341 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.582 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -55.74 -43.97 86.71 Favored Glycine 0 C--O 1.226 -0.39 0 CA-C-N 115.819 -0.628 . . . . 0.0 113.029 -178.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.68 -31.65 59.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.572 0.225 . . . . 0.0 111.439 -175.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 13' ' ' LEU . 62.1 mt -66.33 -41.85 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 173.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -65.54 -32.3 73.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.475 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 44.0 mt-10 -70.37 -43.11 70.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.711 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.68 ' NH1' ' HA ' ' A' ' 61' ' ' PHE . 12.3 ttm180 -71.15 -57.77 4.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.042 -171.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -87.79 -44.68 10.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 111.248 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.29 -37.9 3.28 Favored Glycine 0 C--N 1.317 -0.527 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.721 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.79 -38.38 79.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.283 0.541 . . . . 0.0 111.19 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD23 ' HG3' ' A' ' 46' ' ' ARG . 90.1 mt -57.97 119.05 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.5 p -87.84 -178.23 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.29 -30.57 71.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.998 0.427 . . . . 0.0 110.072 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.74 -36.27 83.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.1 178.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.554 ' HA ' ' HE2' ' A' ' 42' ' ' LYS . 17.5 m-20 -77.31 -27.28 52.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 -177.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.8 mt -96.71 16.13 19.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.098 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -128.69 163.32 25.37 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.89 67.68 0.6 Allowed 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.626 0.579 . . . . 0.0 111.446 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.27 160.14 42.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.544 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -27.46 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.214 175.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.652 ' O ' ' HA ' ' A' ' 7' ' ' LYS . . . 85.97 92.14 0.87 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.09 -173.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.32 156.78 0.77 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.27 76.77 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.499 0.499 . . . . 0.0 111.378 -173.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -56.06 -32.91 64.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.281 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -71.35 -40.36 70.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.374 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.0 mp -63.87 -39.51 94.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.89 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 54' ' ' ALA . 85.9 t -54.96 -49.86 67.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.384 176.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.76 -44.2 98.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.307 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 26.6 mmtm -66.58 -34.37 77.74 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 122.798 -0.236 . . . . 0.0 111.588 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 85.5 mt -70.33 -37.03 74.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.618 0.247 . . . . 0.0 110.854 178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 23.1 mt-30 -72.15 -30.5 65.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -73.63 -54.77 7.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HG3' HD23 ' A' ' 24' ' ' LEU . 24.1 mmt180 -71.39 -59.91 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.905 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -81.86 -52.69 6.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.02 0.438 . . . . 0.0 111.165 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.33 46.59 2.34 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.479 -175.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -89.56 177.63 6.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.93 0.395 . . . . 0.0 110.377 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.2 t -90.51 156.84 17.89 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -57.41 -48.15 79.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -171.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -76.23 -25.17 54.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.87 -172.302 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -67.6 -47.77 68.75 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 173.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -59.64 -44.93 93.34 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.267 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.15 -43.47 78.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -61.48 -44.83 96.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.63 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.17 -34.66 71.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.545 0.212 . . . . 0.0 111.27 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 54' ' ' ALA . 98.9 t -69.97 -37.07 71.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.234 0.54 . . . . 0.0 110.026 175.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -63.09 -39.84 95.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.762 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.49 -39.47 93.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.391 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.68 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 93.2 t80 -59.2 -39.73 83.54 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.943 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -69.16 -35.14 76.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.971 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -64.52 -52.1 59.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 110.248 176.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.609 ' HB2' HH12 ' A' ' 20' ' ' ARG . 50.9 mtt180 -85.29 61.47 6.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.001 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 32.1 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.655 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 121.007 0.432 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -75.65 143.11 42.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.177 -175.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.8 p 61.46 174.77 0.12 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.501 1.12 . . . . 0.0 112.246 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.523 ' OD2' ' HA ' ' A' ' 35' ' ' HIS . 12.4 t70 -110.15 149.98 29.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.716 -177.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.3 m -76.43 -35.46 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.238 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.1 mt -75.53 -36.38 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.343 0.592 . . . . 0.0 110.069 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.712 ' HA ' ' HA3' ' A' ' 34' ' ' GLY . 85.4 tttt -61.58 -28.19 69.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.838 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.84 -39.77 5.43 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.835 -178.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -105.27 28.32 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.806 0.303 . . . . 0.0 111.264 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -51.64 -50.25 60.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -175.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 36.9 ttmt -76.46 -12.56 60.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.102 0.477 . . . . 0.0 110.973 -175.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -92.6 -39.26 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.213 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 17' ' ' ILE . 94.7 mt -77.9 -2.76 38.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.086 -174.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -51.44 -42.21 61.37 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.39 -44.01 85.82 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.251 -0.5 . . . . 0.0 112.911 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -68.56 -34.81 76.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.822 -0.222 . . . . 0.0 111.443 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.498 HG23 ' CE3' ' A' ' 21' ' ' TRP . 72.1 mt -64.31 -43.99 97.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.216 0.532 . . . . 0.0 109.9 176.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 52.8 tptt -59.87 -30.39 68.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.006 175.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -79.01 -49.37 12.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.268 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.629 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.4 mmp_? -61.59 -58.81 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -175.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.498 ' CE3' HG23 ' A' ' 17' ' ' ILE . 6.9 m0 -100.54 -23.94 14.58 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.942 -173.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' A' ' 18' ' ' LYS . . . 83.45 -67.35 3.75 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.812 -0.708 . . . . 0.0 114.795 167.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.57 -20.67 64.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -169.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -58.96 129.1 40.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.933 0.397 . . . . 0.0 110.826 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 11.2 t -94.98 174.95 6.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.681 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -70.75 -14.16 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.756 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' H ' HG23 ' A' ' 25' ' ' THR . 13.6 m-20 -71.39 -45.45 62.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.477 ' OD2' HG22 ' A' ' 25' ' ' THR . 34.5 m-20 -65.8 -34.25 77.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.696 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 25' ' ' THR . 41.3 mt -91.43 7.73 39.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.943 -174.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -152.15 72.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.977 0.418 . . . . 0.0 110.116 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 177.27 47.53 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.683 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -150.25 168.37 24.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -171.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.584 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -104.38 17.53 23.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.988 172.516 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.712 ' HA3' ' HA ' ' A' ' 7' ' ' LYS . . . 75.0 -144.67 32.56 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.483 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.691 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 19.8 p80 53.45 156.05 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.37 1.468 . . . . 0.0 113.897 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -58.67 -41.07 85.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.374 -172.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.691 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 10.7 mp0 -52.4 -36.45 54.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.656 -176.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 49.8 t80 -73.68 -42.82 60.79 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.241 -178.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.56 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 60.6 mt -60.03 -43.92 94.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.623 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 36' ' ' ALA . 67.2 t -51.65 -47.23 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.453 0.471 . . . . 0.0 110.376 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.21 -47.59 90.22 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.271 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 42' ' ' LYS . 57.8 mmtt -64.83 -37.29 87.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 59.3 mt -70.27 -28.08 64.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 14.4 mm100 -83.09 -36.57 24.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.111 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.31 -53.87 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.861 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -78.68 -52.04 8.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.372 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -98.21 -69.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.974 0.416 . . . . 0.0 111.284 -173.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.6 64.5 0.7 Allowed Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.953 -176.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.509 ' HB3' ' HD2' ' A' ' 53' ' ' ARG . 12.6 m0 -95.5 -168.61 1.81 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.5 t -73.33 144.2 46.62 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 165.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -58.88 -36.99 75.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.88 0.371 . . . . 0.0 110.235 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.35 -40.78 97.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.115 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.509 ' HD2' ' HB3' ' A' ' 49' ' ' TRP . 27.9 ttm180 -65.58 -43.57 89.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.427 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.84 -48.32 82.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.48 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.9 -45.14 95.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.984 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.439 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 13.3 mm-40 -61.84 -33.41 74.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.606 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 33.0 mm-40 -65.59 -40.31 92.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.881 0.372 . . . . 0.0 110.374 175.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.473 HG13 HD12 ' A' ' 39' ' ' LEU . 48.2 t -65.08 -42.2 93.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.237 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -65.1 -41.3 95.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.734 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.97 -45.43 92.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.345 175.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.59 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 51.8 t80 -62.34 -49.66 74.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.809 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 m -62.87 -40.13 96.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.62 -178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.49 -27.64 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.506 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -88.37 10.85 18.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.11 0.481 . . . . 0.0 110.58 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 98.7 mt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.436 -0.793 . . . . 0.0 109.84 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mtt . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.83 0.347 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.79 22.35 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.367 0.604 . . . . 0.0 110.048 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 p -104.12 9.66 36.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.53 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -123.59 147.76 47.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.434 -176.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -114.64 -23.11 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.004 0.431 . . . . 0.0 111.01 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.1 mm -75.75 -45.5 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.407 -175.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.93 -24.99 67.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.965 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.74 -40.63 95.19 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.784 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -131.46 35.75 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.807 -0.231 . . . . 0.0 110.451 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.666 ' CZ2' ' HB3' ' A' ' 32' ' ' ALA . 68.1 t-105 -48.9 -42.37 36.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -175.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -70.98 -29.27 65.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.869 0.366 . . . . 0.0 110.705 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -90.65 -37.12 13.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.151 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.48 -8.44 26.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.443 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 29' ' ' LEU . 27.5 p -48.2 -45.35 33.8 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.433 0.458 . . . . 0.0 111.407 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.523 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -70.5 -30.66 68.71 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.974 -178.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -81.79 -39.41 24.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.155 0.478 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.407 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 80.8 mt -65.72 -44.14 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.093 0.473 . . . . 0.0 110.311 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -69.05 -28.41 66.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.545 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.523 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 3.8 tp10 -72.21 -36.63 69.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.111 0.481 . . . . 0.0 110.111 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -62.31 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.601 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.407 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 24.1 m-90 -88.95 -52.11 5.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.963 0.411 . . . . 0.0 111.996 -174.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.86 -47.42 1.07 Allowed Glycine 0 C--N 1.313 -0.721 0 C-N-CA 120.875 -0.679 . . . . 0.0 113.165 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.44 -11.51 60.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 111.641 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD23 ' HG3' ' A' ' 46' ' ' ARG . 95.3 mt -83.61 98.08 9.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 174.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 t -76.9 160.35 29.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.666 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -60.91 -26.59 67.57 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.702 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.02 -48.09 82.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.023 0.44 . . . . 0.0 110.763 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.26 -41.42 81.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.799 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 14' ' ' THR . 63.8 mt -77.76 -16.61 58.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.813 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.95 -22.49 20.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.054 0.454 . . . . 0.0 110.578 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.32 -38.93 11.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -173.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.666 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . . . -68.4 170.9 8.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -170.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.88 -69.12 0.31 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.977 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.636 ' HA2' ' CD2' ' A' ' 10' ' ' TRP . . . 146.09 -38.52 1.18 Allowed Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.248 -0.977 . . . . 0.0 113.446 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 4.6 p80 -57.93 142.69 45.43 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 117.176 0.488 . . . . 0.0 111.105 -175.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -48.75 -42.18 34.55 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 3.5 mp0 -56.7 -29.83 62.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.627 0.251 . . . . 0.0 111.616 -176.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -82.43 -32.52 28.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.022 0.439 . . . . 0.0 109.845 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.8 tp -66.96 -37.43 84.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.711 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' HB3' ' A' ' 54' ' ' ALA . 79.5 t -55.72 -44.78 78.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.241 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.526 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -62.35 -36.93 93.78 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.326 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -64.26 -41.73 96.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.639 0.257 . . . . 0.0 110.977 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.38 -39.9 95.78 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.911 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.27 -29.01 68.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.968 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 13.0 mm-40 -78.85 -35.57 43.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.679 0.276 . . . . 0.0 111.033 177.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HG3' HD23 ' A' ' 24' ' ' LEU . 13.3 mmp_? -72.84 -57.76 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.398 . . . . 0.0 111.716 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -104.1 -18.7 14.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.06 -171.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.76 40.07 23.02 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.056 -1.068 . . . . 0.0 111.768 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.525 ' CZ3' ' HG2' ' A' ' 57' ' ' GLU . 50.9 m0 -83.01 158.74 22.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.853 0.358 . . . . 0.0 110.424 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.1 t -73.16 156.11 38.95 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -63.11 -39.48 94.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.492 0.187 . . . . 0.0 111.236 -175.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.73 -42.09 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.956 0.408 . . . . 0.0 110.725 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 34.4 ttm180 -67.41 -45.39 76.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.409 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -63.92 -37.86 88.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -58.52 -58.15 9.83 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.694 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.68 -31.7 71.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.617 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.525 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 3.8 tp10 -68.39 -41.04 81.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.781 0.324 . . . . 0.0 110.566 -178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 54' ' ' ALA . 93.9 t -64.3 -38.84 83.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.158 175.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 17.9 mtp180 -65.98 -40.07 90.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.688 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.7 t70 -54.22 -42.07 69.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 110.232 176.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -69.21 -46.29 67.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.283 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.8 m -70.3 -27.7 64.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.047 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.45 1.02 50.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 111.01 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 50.7 mtt-85 -110.95 11.34 22.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.298 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.346 179.466 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -46.97 128.92 11.67 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 123.32 0.387 . . . . 0.0 111.167 176.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.445 ' HB3' ' OG ' ' A' ' 62' ' ' SER . 2.9 m -57.56 106.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.647 177.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.634 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 5.4 p-10 -132.54 10.23 4.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.913 0.387 . . . . 0.0 111.272 -174.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.33 -18.24 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -69.62 -27.11 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.743 -175.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.634 ' HE2' ' HB2' ' A' ' 4' ' ' ASP . 50.6 mtmt -58.78 -46.54 87.28 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.46 7.5 63.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.159 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 89.7 mttt -130.17 16.24 5.61 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.64 -0.329 . . . . 0.0 110.999 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.463 ' HE1' ' HA ' ' A' ' 31' ' ' ALA . 61.0 t-105 -44.38 -61.1 1.64 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -173.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.722 ' HD2' ' HG2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -73.69 -4.35 33.86 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -173.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.834 HE21 ' HA ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -98.4 -13.16 20.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.975 0.417 . . . . 0.0 109.886 176.464 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 87.7 mt -106.2 -17.13 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.997 -173.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.1 p -49.63 -39.76 36.95 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.12 -41.41 98.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.214 -0.517 . . . . 0.0 112.849 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -84.77 -27.41 26.9 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 13' ' ' LEU . 63.4 mt -60.45 -46.84 94.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.765 174.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HB2' HD11 ' A' ' 29' ' ' LEU . 84.2 tttt -66.31 -31.28 71.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -80.4 -24.37 39.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.855 0.36 . . . . 0.0 110.532 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -69.41 -57.71 4.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.062 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.4 ' HZ3' HG23 ' A' ' 17' ' ' ILE . 6.4 m-90 -95.9 -18.07 20.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.755 -175.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.4 -70.45 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.408 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 33.2 t70 -85.23 64.98 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.743 0.782 . . . . 0.0 110.577 -173.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.3 mt -121.72 118.37 28.93 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.364 174.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.0 m -74.69 153.78 38.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.469 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -58.41 -30.08 66.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.705 0.288 . . . . 0.0 110.697 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.97 -41.45 82.96 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.099 0.476 . . . . 0.0 110.997 172.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.723 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 65.6 m-20 -73.72 -19.46 60.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.901 -178.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 18' ' ' LYS . 43.2 mt -102.77 2.68 35.94 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.478 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -62.9 112.13 2.44 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.157 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . . . -72.46 99.66 2.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.408 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.64 -77.7 0.59 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.179 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.44 111.68 24.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.362 0.601 . . . . 0.0 109.573 172.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.16 107.57 3.09 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.791 -0.64 . . . . 0.0 113.611 -172.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.414 ' CD2' ' HB2' ' A' ' 38' ' ' TYR . 1.4 p80 -166.64 159.54 14.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.39 73.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 0.0 111.761 -173.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 37' ' ' GLU . 1.9 mp0 -60.72 -30.61 70.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.674 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.414 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.3 t80 -68.0 -39.43 83.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 49.8 tp -61.28 -52.12 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.032 174.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.04 -48.52 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.974 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.11 -38.05 92.52 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.933 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.723 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 15.4 mttm -85.06 -18.47 34.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.459 -0.436 . . . . 0.0 111.809 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 83.9 mt -67.32 -30.51 70.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 170.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.476 ' HA ' ' HA2' ' A' ' 48' ' ' GLY . 22.5 mt-30 -81.88 -25.72 34.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.872 174.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 42' ' ' LYS . 5.5 tp10 -67.24 -58.89 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.492 176.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 24.4 tpt180 -75.16 -53.6 8.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.422 -175.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -91.75 -65.39 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.038 0.447 . . . . 0.0 110.92 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 44' ' ' GLN . . . 105.72 47.65 1.09 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.549 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -83.13 170.41 14.8 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 152.28 41.98 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 62.8 tttm -52.1 -48.65 64.64 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.196 0.31 . . . . 0.0 111.614 -175.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 1.4 pm0 -69.47 -28.06 65.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.298 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -77.09 -35.91 56.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.35 -42.81 87.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.854 175.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' OE2' ' HG2' ' A' ' 51' ' ' LYS . 48.1 mt-10 -57.39 -41.47 80.33 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.621 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.68 -49.05 79.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.342 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -58.54 -45.09 89.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.295 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 54' ' ' ALA . 83.0 t -58.13 -46.86 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 111.092 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -67.12 -39.5 86.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.845 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -64.77 -45.56 85.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.741 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -65.16 -39.27 92.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.455 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.445 ' OG ' ' HB3' ' A' ' 3' ' ' SER . 28.5 t -63.13 -20.17 65.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -175.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -83.29 -40.45 19.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.052 0.454 . . . . 0.0 110.161 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -74.7 -9.6 58.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.699 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--O 1.245 0.852 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.962 176.205 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -129.8 129.94 44.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.104 0.478 . . . . 0.0 111.302 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -149.59 98.07 2.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.631 175.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 3.7 p30 -145.75 21.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.21 0.528 . . . . 0.0 110.371 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 p -53.45 -27.04 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.921 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mm -57.29 -45.68 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.688 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 63.9 pttt -71.32 -28.32 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.341 -174.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.51 46.22 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.365 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . 60.5 mmtt -101.87 16.61 25.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.502 ' CZ2' ' HB3' ' A' ' 32' ' ' ALA . 75.8 t-105 -48.85 -50.39 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -170.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.02 -17.78 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.956 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -98.54 -31.01 12.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.033 0.444 . . . . 0.0 110.26 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.494 ' HG ' ' HB2' ' A' ' 9' ' ' LYS . 64.9 mt -77.28 -16.33 59.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.735 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.559 HG22 ' HB3' ' A' ' 29' ' ' LEU . 3.9 p -55.75 -36.63 67.51 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.14 -27.35 68.55 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.568 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -86.26 -30.09 22.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 13' ' ' LEU . 85.3 mt -64.69 -42.56 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 173.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 57.6 tttm -70.1 -19.97 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.236 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -75.86 -42.86 48.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.833 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -45.28 52.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.854 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.441 ' CE3' HG23 ' A' ' 17' ' ' ILE . 5.1 m-90 -120.14 102.71 8.7 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.16 -5.24 89.75 Favored Glycine 0 N--CA 1.452 -0.246 0 N-CA-C 114.811 0.684 . . . . 0.0 114.811 -168.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -92.88 -11.08 34.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.894 0.847 . . . . 0.0 110.717 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 81.3 mt -82.04 117.65 22.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.968 176.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.0 p -84.03 166.38 17.79 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.208 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 p30 -67.19 -24.89 65.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.205 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.3 -33.89 70.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.665 0.269 . . . . 0.0 110.907 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -70.39 -30.34 67.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.109 0.48 . . . . 0.0 110.335 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.559 ' HB3' HG22 ' A' ' 14' ' ' THR . 66.0 mt -95.75 -48.7 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.608 -175.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.444 ' HG2' HG21 ' A' ' 14' ' ' THR . 93.7 mt-30 -78.84 59.64 2.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.05 0.452 . . . . 0.0 110.181 -177.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.72 22.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.606 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.502 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . . . -132.37 171.85 13.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -168.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.29 -56.04 17.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.495 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.27 -27.64 6.03 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.192 -1.004 . . . . 0.0 114.019 174.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 19.3 p-80 -68.19 158.65 32.77 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 117.868 0.834 . . . . 0.0 111.325 -174.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.56 -44.29 56.61 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -166.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 34.0 mm-40 -60.06 -26.89 66.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -74.42 -31.87 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.606 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.5 mp -62.12 -44.67 96.13 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 174.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.575 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 46.5 t -56.09 -44.25 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.275 177.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.84 -47.98 88.54 Favored Glycine 0 C--O 1.227 -0.333 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.053 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -60.64 -35.77 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 95.5 mt -68.84 -28.71 66.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.874 0.369 . . . . 0.0 110.646 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 8.1 mm-40 -79.6 -46.23 17.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.137 0.494 . . . . 0.0 110.044 175.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.29 -48.33 82.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.44 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -81.32 -46.36 14.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.238 -174.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.412 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 89.1 m-85 -102.88 -76.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.867 0.365 . . . . 0.0 110.998 -176.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.8 73.45 0.53 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.724 -175.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -114.91 -168.69 1.42 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -87.67 155.15 20.07 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 169.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HG3' HG11 ' A' ' 40' ' ' VAL . 55.9 tttm -67.02 -31.8 72.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -55.02 -53.94 49.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.0 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 53' ' ' ARG . 15.5 ttm-85 -67.25 -45.5 76.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.495 -177.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.25 -46.18 83.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.216 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 38.0 mt-10 -67.46 -37.73 83.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.618 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.767 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.3 -43.48 88.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.686 0.279 . . . . 0.0 110.527 174.663 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.69 84.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.754 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 54' ' ' ALA . 99.1 t -66.05 -41.11 89.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.443 175.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 31.9 mmt180 -58.37 -44.04 88.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.822 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.77 -42.24 88.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.224 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.54 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 52.6 t80 -64.62 -50.99 64.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.88 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.2 m -62.54 -31.27 72.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.959 0.409 . . . . 0.0 110.802 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.75 -43.43 93.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.005 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.51 17.72 3.09 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 76.3 mt . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.328 -0.844 . . . . 0.0 109.847 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.7 mtm . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 63.24 86.4 0.12 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.173 0.511 . . . . 0.0 110.318 -178.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -96.26 -9.99 29.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.838 -176.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -103.31 141.2 36.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.767 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.8 m -125.1 5.02 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.679 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.5 mt -90.36 -26.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.973 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -55.15 -31.57 61.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.356 174.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.55 138.75 14.58 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.406 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.626 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 98.5 mttt 65.09 20.63 12.08 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 122.788 0.435 . . . . 0.0 110.692 -175.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.487 ' CD2' ' HA3' ' A' ' 34' ' ' GLY . 67.4 t-105 -56.76 -41.65 77.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.656 -177.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -8.24 55.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 111.476 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -98.82 -35.88 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.109 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 79.9 mt -76.31 -9.12 58.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.654 -175.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.0 p -53.23 -38.35 62.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.468 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.17 -42.67 99.73 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.137 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -64.15 -42.92 96.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 0.0 110.626 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 13' ' ' LEU . 63.9 mt -65.52 -50.61 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.212 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -64.34 -24.91 67.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.023 0.44 . . . . 0.0 110.507 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.42 -36.62 71.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -82.74 -57.42 3.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.95 0.405 . . . . 0.0 110.465 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -107.46 99.34 8.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.16 -177.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.02 -14.65 71.07 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.416 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 27.2 t70 -83.27 -22.4 33.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.288 0.544 . . . . 0.0 110.387 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 46' ' ' ARG . 43.5 mt -76.42 107.76 8.91 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.147 0.499 . . . . 0.0 109.782 175.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.4 p -78.78 158.47 28.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.849 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -73.28 -12.64 60.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.88 -42.51 81.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.847 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -65.15 -39.76 93.45 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.004 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.1 mt -74.87 -43.05 56.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.047 -176.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -77.55 -4.78 47.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.24 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.58 -62.89 1.27 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -175.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.28 -84.32 0.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -135.17 148.35 49.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.051 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA3' ' CD2' ' A' ' 10' ' ' TRP . . . -120.18 145.01 17.54 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.684 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.551 ' CE1' ' HB2' ' A' ' 37' ' ' GLU . 8.0 p80 -175.32 166.84 3.38 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.21 -55.8 2.56 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.791 0.682 . . . . 0.0 112.8 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 20.4 mp0 -60.5 -31.32 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.779 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -75.42 -37.49 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.617 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 8.7 mp -59.26 -51.13 71.28 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.5 t -53.65 -45.64 60.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.675 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.16 -52.72 50.8 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.596 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -67.44 -30.08 69.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 74.1 mt -66.43 -37.17 84.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.56 0.219 . . . . 0.0 110.48 176.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -76.69 -29.96 56.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.69 -56.47 5.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.269 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -71.4 -57.43 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.343 -176.595 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 68.2 m-85 -90.24 -60.18 2.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.975 0.417 . . . . 0.0 111.043 -177.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.22 49.8 1.67 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.894 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.467 ' HB3' ' HD2' ' A' ' 53' ' ' ARG . 8.8 m0 -86.52 177.43 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -71.73 149.77 45.1 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 88.0 tttt -56.86 -43.7 81.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.557 0.218 . . . . 0.0 110.903 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.82 -47.27 83.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.53 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HD2' ' HB3' ' A' ' 49' ' ' TRP . 18.0 ttm180 -61.25 -41.48 96.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.185 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.13 -47.33 86.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.768 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 44.5 mt-10 -55.73 -45.44 77.97 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.799 177.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.631 HE21 ' N ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.94 -46.42 88.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.619 178.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.8 -38.51 91.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.375 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 54' ' ' ALA . 75.0 t -62.29 -48.02 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 0.0 110.802 177.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -65.85 -40.08 91.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.522 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.65 -35.07 75.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.498 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.46 ' CE2' HD21 ' A' ' 65' ' ' LEU . 87.1 t80 -75.77 -43.21 47.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.755 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.533 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 23.2 t -60.0 -30.5 69.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.032 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -61.86 -31.66 71.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.079 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 4.1 mpt_? -99.45 18.28 18.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -176.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.537 HD22 HD22 ' A' ' 13' ' ' LEU . 82.1 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.438 -0.792 . . . . 0.0 109.439 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -137.4 -73.59 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.192 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -103.02 5.53 38.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.323 0.582 . . . . 0.0 110.224 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.61 -31.84 71.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.496 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.673 HG23 HG13 ' A' ' 6' ' ' ILE . 15.5 m -59.81 -41.81 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -175.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.673 HG13 HG23 ' A' ' 5' ' ' VAL . 14.6 mt -89.85 -33.47 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.978 0.418 . . . . 0.0 110.86 -175.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -79.54 -41.59 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.287 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.29 -29.03 60.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.223 -175.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -120.47 31.93 6.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.318 0.58 . . . . 0.0 110.561 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -50.78 -48.53 59.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.03 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -68.3 -25.54 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.917 0.389 . . . . 0.0 111.068 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -83.16 -29.13 28.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.047 0.451 . . . . 0.0 110.532 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 17' ' ' ILE . 87.8 mt -84.42 -5.95 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.798 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 29' ' ' LEU . 18.0 p -47.02 -54.85 9.3 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -176.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.43 -42.8 99.85 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.252 -0.499 . . . . 0.0 112.92 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -66.7 -39.42 88.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.784 0.326 . . . . 0.0 111.224 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.466 HG23 ' CZ3' ' A' ' 21' ' ' TRP . 84.9 mt -65.58 -46.58 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.813 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 48.0 tttm -69.78 -19.55 63.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.079 0.466 . . . . 0.0 110.606 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -78.07 -25.93 47.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.271 0.558 . . . . 0.0 109.979 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 20' ' ' ARG . 22.0 ttt180 -85.2 -52.51 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.466 ' CZ3' HG23 ' A' ' 17' ' ' ILE . 3.1 m-90 -112.24 94.53 4.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.363 178.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.05 -24.65 75.81 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.555 -0.748 . . . . 0.0 113.773 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.504 ' OD2' ' HG3' ' A' ' 46' ' ' ARG . 38.3 t70 -72.43 -27.67 62.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.972 0.386 . . . . 0.0 111.182 -175.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.676 HD13 HD21 ' A' ' 29' ' ' LEU . 95.3 mt -64.54 120.2 11.9 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 175.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 p -79.41 169.0 18.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.168 0.509 . . . . 0.0 111.726 -174.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -69.41 -11.52 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.043 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -85.85 -50.23 7.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.926 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -57.42 -42.71 82.88 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.667 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.676 HD21 HD13 ' A' ' 24' ' ' LEU . 86.8 mt -85.67 14.05 6.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.756 -175.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -141.23 18.03 2.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.242 0.544 . . . . 0.0 110.279 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.9 -85.51 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.777 -176.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.14 -95.96 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -174.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -145.19 -171.55 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.79 37.06 2.69 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.271 -0.966 . . . . 0.0 114.096 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' NE2' ' HB2' ' A' ' 37' ' ' GLU . 19.7 p-80 -77.54 147.15 35.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -40.64 26.33 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -168.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.568 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 57.9 mm-40 -57.78 -34.27 69.41 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -71.76 -41.74 68.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.413 -177.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 44.2 mt -59.16 -53.35 59.3 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.265 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 54' ' ' ALA . 90.3 t -52.81 -45.85 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.572 0.545 . . . . 0.0 110.828 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.45 -48.74 83.25 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.414 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -67.53 -30.87 70.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.576 0.226 . . . . 0.0 111.594 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 77.9 mt -70.86 -39.33 72.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.695 0.283 . . . . 0.0 110.734 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 24.7 mt-30 -72.76 -26.37 61.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.02 0.438 . . . . 0.0 110.193 175.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.98 -55.91 4.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.981 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -72.32 -57.45 4.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.204 -174.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -84.22 -52.03 6.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.916 0.389 . . . . 0.0 110.951 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 103.07 38.7 2.82 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.887 -178.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 53' ' ' ARG . 46.1 m0 -83.3 169.85 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.728 0.299 . . . . 0.0 110.316 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.8 p -81.75 165.59 20.8 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -59.99 -43.31 95.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.261 -176.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.582 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 1.3 mp0 -64.6 -42.52 95.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.601 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' TRP . 56.7 ttm-85 -65.2 -39.66 93.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.41 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.471 ' HB3' HG13 ' A' ' 40' ' ' VAL . . . -64.48 -44.62 90.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.189 177.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -54.84 -45.04 74.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.014 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -58.97 -51.55 69.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.783 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -62.17 -47.63 83.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.26 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.49 -44.34 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.144 0.497 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttm105 -68.82 -39.62 79.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.189 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 34.2 t70 -70.67 -28.49 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.804 178.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -73.03 -43.77 61.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.361 . . . . 0.0 110.065 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 t -64.65 -20.89 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.532 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' ASP . 11.6 t70 -64.24 -28.7 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.466 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -102.38 9.32 39.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.118 0.485 . . . . 0.0 111.134 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.166 -178.12 . . . . . . . . 0 0 . 1 stop_ save_